From af9968816502445c826e6857a1e244c193fd9ce0 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Thu, 28 Jan 2021 15:32:42 -0500 Subject: [PATCH] Include unpolarized basis sets for H-Lr from Koga et al, 2000. --- basis_set_exchange/data/METADATA.json | 128 + basis_set_exchange/data/REFERENCES.json | 14 + .../data/koga/koga_atomic.1.element.json | 525 + .../data/koga/koga_atomic.1.json | 33475 ++++++++++++++++ .../data/koga_atomic.1.table.json | 113 + .../data/koga_atomic.metadata.json | 14 + 6 files changed, 34269 insertions(+) create mode 100644 basis_set_exchange/data/koga/koga_atomic.1.element.json create mode 100644 basis_set_exchange/data/koga/koga_atomic.1.json create mode 100644 basis_set_exchange/data/koga_atomic.1.table.json create mode 100644 basis_set_exchange/data/koga_atomic.metadata.json diff --git a/basis_set_exchange/data/METADATA.json b/basis_set_exchange/data/METADATA.json index e4e0af7ca..ec0d2bd85 100644 --- a/basis_set_exchange/data/METADATA.json +++ b/basis_set_exchange/data/METADATA.json @@ -27937,6 +27937,134 @@ } } }, + "koga unpolarized": { + "display_name": "Koga unpolarized", + "other_names": [], + "description": "Non-relativistic unpolarized basis sets for atomic calculations, designed for use in uncontracted form", + "latest_version": "1", + "tags": [], + "basename": "koga_atomic", + "relpath": "", + "family": "koga", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "koga_atomic.1.table.json", + "revdesc": "Data from Tatewaki's website", + "revdate": "2021-01-28", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103" + ] + } + } + }, "lanl08": { "display_name": "LANL08", "other_names": [], diff --git a/basis_set_exchange/data/REFERENCES.json b/basis_set_exchange/data/REFERENCES.json index 37f9aa46c..bacbf05f8 100644 --- a/basis_set_exchange/data/REFERENCES.json +++ b/basis_set_exchange/data/REFERENCES.json @@ -2627,6 +2627,20 @@ "year": "1999", "doi": "10.1007/s002140050479" }, + "koga2000a": { + "_entry_type": "article", + "authors": [ + "Koga, Toshikatsu", + "Tatewaki, Hiroshi", + "Shimazaki, Tsuyoshi" + ], + "title": "Chemically reliable uncontracted Gaussian-type basis sets for atoms H to Lr", + "journal": "Chem. Phys. Lett", + "volume": "328", + "pages": "473-482", + "year": "2000", + "doi": "10.1016/S0009-2614(00)00948-9" + }, "koga2002a": { "_entry_type": "article", "authors": [ diff --git a/basis_set_exchange/data/koga/koga_atomic.1.element.json b/basis_set_exchange/data/koga/koga_atomic.1.element.json new file mode 100644 index 000000000..357ec0d7f --- /dev/null +++ b/basis_set_exchange/data/koga/koga_atomic.1.element.json @@ -0,0 +1,525 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "Koga unpolarized", + "description": "Non-relativistic unpolarized basis sets for atomic calculations, designed for use in uncontracted form", + "elements": { + "1": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "2": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "3": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "4": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "5": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "6": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "7": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "8": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "9": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "10": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "11": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "12": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "13": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "14": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "15": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "16": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "17": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "18": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "19": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "20": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "21": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "22": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "23": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "24": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "25": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "26": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "27": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "28": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "29": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "30": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "31": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "32": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "33": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "34": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "35": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "36": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "37": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "38": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "39": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "40": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "41": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "42": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "43": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "44": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "45": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "46": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "47": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "48": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "49": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "50": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "51": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "52": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "53": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "54": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "55": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "56": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "57": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "58": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "59": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "60": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "61": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "62": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "63": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "64": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "65": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "66": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "67": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "68": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "69": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "70": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "71": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "72": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "73": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "74": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "75": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "76": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "77": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "78": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "79": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "80": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "81": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "82": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "83": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "84": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "85": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "86": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "87": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "88": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "89": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "90": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "91": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "92": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "93": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "94": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "95": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "96": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "97": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "98": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "99": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "100": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "101": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "102": { + "components": [ + "koga/koga_atomic.1.json" + ] + }, + "103": { + "components": [ + "koga/koga_atomic.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/koga/koga_atomic.1.json b/basis_set_exchange/data/koga/koga_atomic.1.json new file mode 100644 index 000000000..291a78e2b --- /dev/null +++ b/basis_set_exchange/data/koga/koga_atomic.1.json @@ -0,0 +1,33475 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Non-relativistic unpolarized basis sets for atomic calculations, designed for use in uncontracted form", + "data_source": "Data from Tatewaki's website", + "elements": { + "1": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.2921890e+01", + "1.2452437e+01", + "2.8330562e+00", + "8.0001038e-01", + "2.5859469e-01", + "8.9968966e-02" + ], + "coefficients": [ + [ + "0.0019976", + "0.0152813", + "0.0753051", + "0.2563238", + "0.4976257", + "0.2967694" + ] + ] + } + ] + }, + "2": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.3406425e+02", + "3.5174075e+01", + "7.9911108e+00", + "2.2124201e+00", + "6.6706872e-01", + "2.0894727e-01" + ], + "coefficients": [ + [ + "0.0025863", + "0.0195239", + "0.0909819", + "0.2720060", + "0.4780219", + "0.3078468" + ] + ] + } + ] + }, + "3": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.2001404e+03", + "1.0788075e+03", + "2.4551630e+02", + "6.9530701e+01", + "2.2662565e+01", + "8.1311063e+00", + "3.1000960e+00", + "1.2283838e+00", + "4.9395696e-01", + "9.3064045e-02", + "4.5968698e-02", + "2.1501489e-02" + ], + "coefficients": [ + [ + "0.0001054", + "0.0008183", + "0.0042717", + "0.0175790", + "0.0592127", + "0.1586656", + "0.3158968", + "0.4012104", + "0.1993108", + "0.0096564", + "-0.0052479", + "0.0017098" + ], + [ + "-0.0000165", + "-0.0001278", + "-0.0006695", + "-0.0027654", + "-0.0094860", + "-0.0262914", + "-0.0572006", + "-0.0951557", + "-0.1216054", + "0.3010173", + "0.5510180", + "0.2514770" + ] + ] + } + ] + }, + "4": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.4539304e+04", + "2.1785913e+03", + "4.9581896e+02", + "1.4040206e+02", + "4.5766979e+01", + "1.6453679e+01", + "6.3170373e+00", + "2.5345570e+00", + "1.0353430e+00", + "2.5275698e-01", + "1.0516971e-01", + "4.2605017e-02" + ], + "coefficients": [ + [ + "0.0000925", + "0.0007181", + "0.0037544", + "0.0155135", + "0.0529369", + "0.1456912", + "0.3026513", + "0.4048188", + "0.2223609", + "0.0129902", + "-0.0047001", + "0.0012452" + ], + [ + "-0.0000168", + "-0.0001313", + "-0.0006831", + "-0.0028656", + "-0.0098252", + "-0.0286090", + "-0.0637628", + "-0.1171896", + "-0.1211898", + "0.2533199", + "0.5818703", + "0.2918004" + ] + ] + } + ] + }, + "5": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.3828602e+04", + "3.5703653e+03", + "8.1256997e+02", + "2.3010710e+02", + "7.5022519e+01", + "2.6999936e+01", + "1.0405019e+01", + "4.2061208e+00", + "1.7350494e+00", + "4.7136821e-01", + "1.9017256e-01", + "7.4119386e-02" + ], + "coefficients": [ + [ + "0.0000886", + "0.0006877", + "0.0035972", + "0.0148851", + "0.0510424", + "0.1419763", + "0.2994061", + "0.4045208", + "0.2274481", + "0.0157024", + "-0.0040691", + "0.0011543" + ], + [ + "-0.0000179", + "-0.0001394", + "-0.0007248", + "-0.0030502", + "-0.0104992", + "-0.0310609", + "-0.0705632", + "-0.1319205", + "-0.1239881", + "0.2601484", + "0.5865736", + "0.2921155" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.9031465e+01", + "1.6307514e+01", + "5.1132263e+00", + "1.8216249e+00", + "7.1352765e-01", + "2.9211202e-01", + "1.2113457e-01", + "4.9639669e-02" + ], + "coefficients": [ + [ + "0.0007860", + "0.0060605", + "0.0269049", + "0.0898412", + "0.2236994", + "0.3730027", + "0.3761830", + "0.1386244" + ] + ] + } + ] + }, + "6": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.5085405e+04", + "5.2570094e+03", + "1.1964475e+03", + "3.3882360e+02", + "1.1047665e+02", + "3.9782507e+01", + "1.5365668e+01", + "6.2403100e+00", + "2.5892591e+00", + "7.4114814e-01", + "2.9337757e-01", + "1.1187328e-01" + ], + "coefficients": [ + [ + "0.0000871", + "0.0006759", + "0.0035362", + "0.0146432", + "0.0503438", + "0.1408167", + "0.2990060", + "0.4039630", + "0.2278123", + "0.0171721", + "-0.0034995", + "0.0010855" + ], + [ + "-0.0000185", + "-0.0001446", + "-0.0007517", + "-0.0031682", + "-0.0109344", + "-0.0326237", + "-0.0749543", + "-0.1405959", + "-0.1229981", + "0.2679277", + "0.5871058", + "0.2902148" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.0623961e+02", + "2.5121588e+01", + "7.9288559e+00", + "2.8604286e+00", + "1.1288641e+00", + "4.6235965e-01", + "1.8992551e-01", + "7.6154477e-02" + ], + "coefficients": [ + [ + "0.0008282", + "0.0065088", + "0.0296927", + "0.0988466", + "0.2366096", + "0.3753474", + "0.3622197", + "0.1328666" + ] + ] + } + ] + }, + "7": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.8330080e+04", + "7.2414527e+03", + "1.6480600e+03", + "4.6671290e+02", + "1.5218464e+02", + "5.4822831e+01", + "2.1207390e+01", + "8.6399565e+00", + "3.5988089e+00", + "1.0623930e+00", + "4.1534003e-01", + "1.5609522e-01" + ], + "coefficients": [ + [ + "0.0000864", + "0.0006707", + "0.0035098", + "0.0145406", + "0.0500691", + "0.1405246", + "0.2994570", + "0.4034265", + "0.2268731", + "0.0180496", + "-0.0030558", + "0.0010351" + ], + [ + "-0.0000190", + "-0.0001484", + "-0.0007717", + "-0.0032550", + "-0.0112545", + "-0.0337575", + "-0.0781351", + "-0.1464153", + "-0.1210936", + "0.2747894", + "0.5865312", + "0.2879156" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.5003553e+02", + "3.5497789e+01", + "1.1250009e+01", + "4.0903179e+00", + "1.6213757e+00", + "6.6375724e-01", + "2.7070539e-01", + "1.0682750e-01" + ], + "coefficients": [ + [ + "0.0008613", + "0.0068483", + "0.0317587", + "0.1052984", + "0.2452208", + "0.3762336", + "0.3528912", + "0.1292704" + ] + ] + } + ] + }, + "8": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.3650324e+04", + "9.5369312e+03", + "2.1704934e+03", + "6.1466274e+02", + "2.0043253e+02", + "7.2222473e+01", + "2.7969878e+01", + "1.1422113e+01", + "4.7728299e+00", + "1.4402498e+00", + "5.5993329e-01", + "2.0808916e-01" + ], + "coefficients": [ + [ + "0.0000860", + "0.0006674", + "0.0034930", + "0.0144754", + "0.0499034", + "0.1404049", + "0.2999254", + "0.4029688", + "0.2260003", + "0.0186193", + "-0.0027502", + "0.0010177" + ], + [ + "-0.0000195", + "-0.0001521", + "-0.0007907", + "-0.0033368", + "-0.0115547", + "-0.0347915", + "-0.0809877", + "-0.1515354", + "-0.1201416", + "0.2835650", + "0.5871594", + "0.2819064" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.9112120e+02", + "4.5218303e+01", + "1.4350854e+01", + "5.2429389e+00", + "2.0795110e+00", + "8.4265240e-01", + "3.3606279e-01", + "1.2863939e-01" + ], + "coefficients": [ + [ + "0.0009539", + "0.0076117", + "0.0355368", + "0.1161933", + "0.2574790", + "0.3733559", + "0.3417599", + "0.1296645" + ] + ] + } + ] + }, + "9": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.0943284e+04", + "1.2127983e+04", + "2.7602003e+03", + "7.8166830e+02", + "2.5489926e+02", + "9.1868590e+01", + "3.5609014e+01", + "1.4567395e+01", + "6.1010260e+00", + "1.8694010e+00", + "7.2322144e-01", + "2.6651115e-01" + ], + "coefficients": [ + [ + "0.0000858", + "0.0006662", + "0.0034868", + "0.0144530", + "0.0498647", + "0.1405308", + "0.3006005", + "0.4025646", + "0.2248255", + "0.0189885", + "-0.0024944", + "0.0009988" + ], + [ + "-0.0000198", + "-0.0001548", + "-0.0008052", + "-0.0033993", + "-0.0117846", + "-0.0355809", + "-0.0831633", + "-0.1552214", + "-0.1187015", + "0.2899838", + "0.5870853", + "0.2778284" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.4097541e+02", + "5.7021751e+01", + "1.8129256e+01", + "6.6479949e+00", + "2.6382678e+00", + "1.0637205e+00", + "4.1922450e-01", + "1.5749710e-01" + ], + "coefficients": [ + [ + "0.0010076", + "0.0080760", + "0.0379280", + "0.1228343", + "0.2646066", + "0.3720234", + "0.3346933", + "0.1289641" + ] + ] + } + ] + }, + "10": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.0027703e+05", + "1.5024777e+04", + "3.4194243e+03", + "9.6833099e+02", + "3.1576162e+02", + "1.1381543e+02", + "4.4142643e+01", + "1.8081932e+01", + "7.5854437e+00", + "2.3503864e+00", + "9.0552447e-01", + "3.3151899e-01" + ], + "coefficients": [ + [ + "0.0000857", + "0.0006655", + "0.0034834", + "0.0144420", + "0.0498608", + "0.1407126", + "0.3012716", + "0.4022393", + "0.2236954", + "0.0192536", + "-0.0022842", + "0.0009817" + ], + [ + "-0.0000201", + "-0.0001569", + "-0.0008163", + "-0.0034470", + "-0.0119613", + "-0.0361940", + "-0.0848667", + "-0.1579855", + "-0.1171912", + "0.2948009", + "0.5866368", + "0.2750537" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.9874009e+02", + "7.0702612e+01", + "2.2515939e+01", + "8.2802704e+00", + "3.2879672e+00", + "1.3221027e+00", + "5.1743659e-01", + "1.9198390e-01" + ], + "coefficients": [ + [ + "0.0010400", + "0.0083708", + "0.0395121", + "0.1271556", + "0.2691825", + "0.3713804", + "0.3298945", + "0.1280001" + ] + ] + } + ] + }, + "11": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.1909531e+05", + "6.2765924e+04", + "1.4283425e+04", + "4.0453310e+03", + "1.3194791e+03", + "4.7620692e+02", + "1.8559567e+02", + "7.6768842e+01", + "3.3281725e+01", + "1.4988304e+01", + "6.8670741e+00", + "2.6824562e+00", + "1.1083495e+00", + "4.5371667e-01", + "6.0153252e-02", + "2.3816978e-02" + ], + "coefficients": [ + [ + "0.0000183", + "0.0001420", + "0.0007463", + "0.0031384", + "0.0112838", + "0.0354297", + "0.0961586", + "0.2138302", + "0.3486047", + "0.3242942", + "0.1124519", + "0.0070936", + "0.0005829", + "0.0002090", + "-0.0000065", + "0.0000023" + ], + [ + "-0.0000045", + "-0.0000347", + "-0.0001820", + "-0.0007704", + "-0.0027713", + "-0.0088978", + "-0.0248432", + "-0.0606393", + "-0.1164710", + "-0.1623495", + "-0.0437806", + "0.3381276", + "0.5614827", + "0.2448936", + "0.0040448", + "-0.0012713" + ], + [ + "0.0000007", + "0.0000052", + "0.0000274", + "0.0001156", + "0.0004178", + "0.0013351", + "0.0037625", + "0.0091439", + "0.0179854", + "0.0251288", + "0.0076130", + "-0.0614718", + "-0.1157678", + "-0.1588255", + "0.6262908", + "0.4755543" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.1518489e+02", + "9.8342231e+01", + "3.1455730e+01", + "1.1639661e+01", + "4.6720458e+00", + "1.9163784e+00", + "7.7671916e-01", + "3.0102222e-01" + ], + "coefficients": [ + [ + "0.0009020", + "0.0073763", + "0.0356545", + "0.1183789", + "0.2620372", + "0.3779672", + "0.3365776", + "0.1136552" + ] + ] + } + ] + }, + "12": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.9123323e+05", + "8.8544370e+04", + "2.0151262e+04", + "5.7077159e+03", + "1.8619646e+03", + "6.7210915e+02", + "2.6204306e+02", + "1.0850770e+02", + "4.7127355e+01", + "2.1271370e+01", + "9.7533218e+00", + "3.7546443e+00", + "1.6053662e+00", + "6.7446500e-01", + "1.1406656e-01", + "4.0867512e-02" + ], + "coefficients": [ + [ + "0.0000148", + "0.0001151", + "0.0006050", + "0.0025458", + "0.0091758", + "0.0290087", + "0.0800571", + "0.1843797", + "0.3228796", + "0.3488254", + "0.1610895", + "0.0148005", + "-0.0004514", + "0.0005772", + "-0.0000695", + "0.0000299" + ], + [ + "-0.0000037", + "-0.0000291", + "-0.0001527", + "-0.0006463", + "-0.0023296", + "-0.0075105", + "-0.0212320", + "-0.0530312", + "-0.1067512", + "-0.1639316", + "-0.0906688", + "0.2722422", + "0.5718580", + "0.3075209", + "0.0081193", + "-0.0024387" + ], + [ + "0.0000007", + "0.0000056", + "0.0000293", + "0.0001249", + "0.0004468", + "0.0014560", + "0.0040751", + "0.0103862", + "0.0206983", + "0.0335854", + "0.0174996", + "-0.0590344", + "-0.1670064", + "-0.1874317", + "0.5921730", + "0.5397025" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.4015757e+02", + "1.2796894e+02", + "4.1040618e+01", + "1.5252435e+01", + "6.1637752e+00", + "2.5591680e+00", + "1.0594433e+00", + "4.1728744e-01" + ], + "coefficients": [ + [ + "0.0008333", + "0.0068830", + "0.0337875", + "0.1143583", + "0.2599984", + "0.3844344", + "0.3372436", + "0.1017744" + ] + ] + } + ] + }, + "13": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.0199669e+05", + "6.0210075e+04", + "1.3701973e+04", + "3.8805557e+03", + "1.2656959e+03", + "4.5670466e+02", + "1.7783053e+02", + "7.3376799e+01", + "3.1635638e+01", + "1.3892769e+01", + "5.1564348e+00", + "2.2553593e+00", + "9.6279689e-01", + "2.4206603e-01", + "1.1644883e-01", + "4.9628013e-02" + ], + "coefficients": [ + [ + "0.0000293", + "0.0002281", + "0.0011975", + "0.0050257", + "0.0179265", + "0.0552675", + "0.1432806", + "0.2897691", + "0.3824500", + "0.2307308", + "0.0288856", + "-0.0029436", + "0.0016311", + "-0.0005846", + "0.0004173", + "-0.0001205" + ], + [ + "-0.0000076", + "-0.0000592", + "-0.0003122", + "-0.0013091", + "-0.0047350", + "-0.0148453", + "-0.0409907", + "-0.0926749", + "-0.1642129", + "-0.1399346", + "0.1978310", + "0.5728222", + "0.3717060", + "0.0228594", + "-0.0089130", + "0.0021151" + ], + [ + "0.0000018", + "0.0000137", + "0.0000721", + "0.0003021", + "0.0010955", + "0.0034322", + "0.0095458", + "0.0216991", + "0.0395473", + "0.0345463", + "-0.0534279", + "-0.1926655", + "-0.2529973", + "0.2868116", + "0.6025060", + "0.2784471" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.1910050e+02", + "2.1786492e+02", + "7.0310035e+01", + "2.6384195e+01", + "1.0850441e+01", + "4.6640631e+00", + "2.0254488e+00", + "8.6966208e-01", + "2.9536441e-01", + "1.0931328e-01", + "3.9733211e-02" + ], + "coefficients": [ + [ + "0.0004661", + "0.0039549", + "0.0203573", + "0.0741662", + "0.1920180", + "0.3356825", + "0.3789610", + "0.2047806", + "0.0210517", + "-0.0019943", + "0.0008061" + ], + [ + "-0.0000843", + "-0.0007089", + "-0.0037077", + "-0.0135142", + "-0.0362540", + "-0.0629710", + "-0.0797778", + "-0.0286479", + "0.2409407", + "0.5513782", + "0.3514903" + ] + ] + } + ] + }, + "14": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.8905568e+05", + "7.3262109e+04", + "1.6675874e+04", + "4.7232649e+03", + "1.5405476e+03", + "5.5587739e+02", + "2.1643688e+02", + "8.9291664e+01", + "3.8481733e+01", + "1.6909024e+01", + "6.4420972e+00", + "2.8717733e+00", + "1.2490770e+00", + "3.5803899e-01", + "1.6905470e-01", + "7.0447688e-02" + ], + "coefficients": [ + [ + "0.0000277", + "0.0002152", + "0.0011296", + "0.0047423", + "0.0169378", + "0.0523874", + "0.1369108", + "0.2812989", + "0.3827803", + "0.2440506", + "0.0342287", + "-0.0033913", + "0.0018907", + "-0.0006999", + "0.0004445", + "-0.0001247" + ], + [ + "-0.0000074", + "-0.0000572", + "-0.0003014", + "-0.0012653", + "-0.0045757", + "-0.0144040", + "-0.0399438", + "-0.0916733", + "-0.1650425", + "-0.1515172", + "0.1690500", + "0.5692199", + "0.3977415", + "0.0290303", + "-0.0085540", + "0.0020183" + ], + [ + "0.0000019", + "0.0000147", + "0.0000773", + "0.0003239", + "0.0011750", + "0.0036936", + "0.0103291", + "0.0238159", + "0.0442213", + "0.0416117", + "-0.0503598", + "-0.2167881", + "-0.2860679", + "0.2673338", + "0.6332679", + "0.2883590" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.1355149e+03", + "2.6916647e+02", + "8.6957543e+01", + "3.2707782e+01", + "1.3499686e+01", + "5.8423848e+00", + "2.5692917e+00", + "1.1253417e+00", + "3.9887760e-01", + "1.5323530e-01", + "5.7262877e-02" + ], + "coefficients": [ + [ + "0.0004389", + "0.0037422", + "0.0194400", + "0.0716838", + "0.1885435", + "0.3356751", + "0.3812558", + "0.2020660", + "0.0208410", + "-0.0016861", + "0.0007448" + ], + [ + "-0.0000945", + "-0.0007961", + "-0.0042204", + "-0.0155252", + "-0.0426476", + "-0.0752572", + "-0.0975093", + "-0.0231207", + "0.2921907", + "0.5508108", + "0.2973762" + ] + ] + } + ] + }, + "15": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.8029857e+05", + "8.6916650e+04", + "1.9780137e+04", + "5.6021341e+03", + "1.8272336e+03", + "6.5932890e+02", + "2.5675983e+02", + "1.0598824e+02", + "4.5720025e+01", + "2.0131493e+01", + "7.8455248e+00", + "3.5426499e+00", + "1.5624610e+00", + "4.8649205e-01", + "2.2572319e-01", + "9.3091357e-02" + ], + "coefficients": [ + [ + "0.0000266", + "0.0002069", + "0.0010863", + "0.0045616", + "0.0163054", + "0.0505357", + "0.1327048", + "0.2752213", + "0.3819539", + "0.2531828", + "0.0387019", + "-0.0035852", + "0.0020369", + "-0.0007675", + "0.0004431", + "-0.0001238" + ], + [ + "-0.0000072", + "-0.0000562", + "-0.0002956", + "-0.0012421", + "-0.0044902", + "-0.0141744", + "-0.0393986", + "-0.0912596", + "-0.1659049", + "-0.1599356", + "0.1477803", + "0.5666447", + "0.4158830", + "0.0342322", + "-0.0078778", + "0.0019417" + ], + [ + "0.0000020", + "0.0000154", + "0.0000813", + "0.0003409", + "0.0012368", + "0.0038974", + "0.0109323", + "0.0254337", + "0.0477727", + "0.0472385", + "-0.0469116", + "-0.2352802", + "-0.3107712", + "0.2604511", + "0.6521926", + "0.2923074" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.3578194e+03", + "3.2184261e+02", + "1.0404960e+02", + "3.9208515e+01", + "1.6228905e+01", + "7.0592600e+00", + "3.1354235e+00", + "1.3965704e+00", + "5.1842032e-01", + "2.0338157e-01", + "7.7000237e-02" + ], + "coefficients": [ + [ + "0.0004263", + "0.0036465", + "0.0190582", + "0.0708264", + "0.1879516", + "0.3378247", + "0.3818074", + "0.1959243", + "0.0200708", + "-0.0013732", + "0.0005233" + ], + [ + "-0.0001021", + "-0.0008631", + "-0.0046046", + "-0.0170979", + "-0.0474796", + "-0.0850321", + "-0.1096472", + "-0.0164542", + "0.3224679", + "0.5459914", + "0.2688494" + ] + ] + } + ] + }, + "16": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.9056727e+05", + "1.0344796e+05", + "2.3544076e+04", + "6.6662989e+03", + "2.1730209e+03", + "7.8327346e+02", + "3.0458366e+02", + "1.2553141e+02", + "5.4071637e+01", + "2.3805843e+01", + "9.4480677e+00", + "4.2983057e+00", + "1.9116528e+00", + "6.2623108e-01", + "2.8736635e-01", + "1.1723665e-01" + ], + "coefficients": [ + [ + "0.0000252", + "0.0001958", + "0.0010284", + "0.0043226", + "0.0154854", + "0.0482083", + "0.1276569", + "0.2684446", + "0.3815762", + "0.2635636", + "0.0437311", + "-0.0037108", + "0.0021540", + "-0.0008258", + "0.0004432", + "-0.0001239" + ], + [ + "-0.0000070", + "-0.0000541", + "-0.0002846", + "-0.0011976", + "-0.0043344", + "-0.0137482", + "-0.0384315", + "-0.0901599", + "-0.1662080", + "-0.1684081", + "0.1268935", + "0.5644402", + "0.4330342", + "0.0391481", + "-0.0074322", + "0.0019501" + ], + [ + "0.0000020", + "0.0000157", + "0.0000827", + "0.0003473", + "0.0012618", + "0.0039942", + "0.0112723", + "0.0265568", + "0.0506356", + "0.0526893", + "-0.0421815", + "-0.2504991", + "-0.3335501", + "0.2636512", + "0.6664098", + "0.2887175" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.5218266e+03", + "3.6075848e+02", + "1.1663542e+02", + "4.3971427e+01", + "1.8212803e+01", + "7.9306126e+00", + "3.5423316e+00", + "1.5971590e+00", + "6.2177455e-01", + "2.4244909e-01", + "9.0255870e-02" + ], + "coefficients": [ + [ + "0.0004531", + "0.0038767", + "0.0202714", + "0.0752581", + "0.1981168", + "0.3503929", + "0.3767598", + "0.1716133", + "0.0155402", + "-0.0000278", + "0.0004340" + ], + [ + "-0.0001162", + "-0.0009843", + "-0.0052485", + "-0.0195408", + "-0.0538454", + "-0.0955944", + "-0.1177535", + "0.0086572", + "0.3581090", + "0.5262015", + "0.2495800" + ] + ] + } + ] + }, + "17": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.9423662e+05", + "1.1897905e+05", + "2.7083835e+04", + "7.6727231e+03", + "2.5023759e+03", + "9.0252723e+02", + "3.5125997e+02", + "1.4494698e+02", + "6.2527791e+01", + "2.7595766e+01", + "1.1133638e+01", + "5.0965268e+00", + "2.2853880e+00", + "7.7925194e-01", + "3.5413997e-01", + "1.4356423e-01" + ], + "coefficients": [ + [ + "0.0000247", + "0.0001916", + "0.0010056", + "0.0042236", + "0.0151280", + "0.0471094", + "0.1249803", + "0.2641519", + "0.3801184", + "0.2694875", + "0.0474793", + "-0.0036619", + "0.0021903", + "-0.0008528", + "0.0004275", + "-0.0001206" + ], + [ + "-0.0000069", + "-0.0000537", + "-0.0002823", + "-0.0011878", + "-0.0042953", + "-0.0136348", + "-0.0381315", + "-0.0899039", + "-0.1667579", + "-0.1740187", + "0.1126350", + "0.5626646", + "0.4442322", + "0.0432072", + "-0.0068040", + "0.0019330" + ], + [ + "0.0000021", + "0.0000162", + "0.0000855", + "0.0003589", + "0.0013033", + "0.0041284", + "0.0116610", + "0.0276094", + "0.0530230", + "0.0568700", + "-0.0386709", + "-0.2633068", + "-0.3505718", + "0.2663214", + "0.6764243", + "0.2871193" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.6717036e+03", + "3.9632553e+02", + "1.2814388e+02", + "4.8329900e+01", + "2.0023908e+01", + "8.7171945e+00", + "3.9014049e+00", + "1.7617736e+00", + "7.1932913e-01", + "2.8347120e-01", + "1.0593434e-01" + ], + "coefficients": [ + [ + "0.0004897", + "0.0041859", + "0.0218633", + "0.0808527", + "0.2104209", + "0.3645363", + "0.3695683", + "0.1453202", + "0.0108028", + "0.0011366", + "0.0003477" + ], + [ + "-0.0001325", + "-0.0011264", + "-0.0059797", + "-0.0223185", + "-0.0606021", + "-0.1068303", + "-0.1218783", + "0.0392233", + "0.3857490", + "0.5067245", + "0.2267625" + ] + ] + } + ] + }, + "18": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.0594654e+05", + "1.3567833e+05", + "3.0875153e+04", + "8.7435747e+03", + "2.8515182e+03", + "1.0287890e+03", + "4.0062368e+02", + "1.6543793e+02", + "7.1440876e+01", + "3.1593420e+01", + "1.2909758e+01", + "5.9392494e+00", + "2.6826989e+00", + "9.4345618e-01", + "4.2511714e-01", + "1.7179354e-01" + ], + "coefficients": [ + [ + "0.0000242", + "0.0001878", + "0.0009863", + "0.0041445", + "0.0148462", + "0.0462447", + "0.1229051", + "0.2608854", + "0.3789119", + "0.2739134", + "0.0505254", + "-0.0035852", + "0.0022011", + "-0.0008714", + "0.0004106", + "-0.0001175" + ], + [ + "-0.0000069", + "-0.0000533", + "-0.0002804", + "-0.0011807", + "-0.0042683", + "-0.0135571", + "-0.0379439", + "-0.0898461", + "-0.1674699", + "-0.1784896", + "0.1023175", + "0.5618316", + "0.4515184", + "0.0464357", + "-0.0061107", + "0.0019043" + ], + [ + "0.0000021", + "0.0000166", + "0.0000878", + "0.0003686", + "0.0013380", + "0.0042402", + "0.0119901", + "0.0285110", + "0.0550751", + "0.0603735", + "-0.0359599", + "-0.2747255", + "-0.3634586", + "0.2707281", + "0.6832680", + "0.2851121" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.8688067e+03", + "4.4294722e+02", + "1.4319547e+02", + "5.4013866e+01", + "2.2378905e+01", + "9.7396561e+00", + "4.3610083e+00", + "1.9585564e+00", + "8.2555522e-01", + "3.2961519e-01", + "1.2421539e-01" + ], + "coefficients": [ + [ + "0.0005056", + "0.0043266", + "0.0226449", + "0.0838272", + "0.2176968", + "0.3740702", + "0.3653841", + "0.1289953", + "0.0069527", + "0.0008222", + "-0.0001491" + ], + [ + "-0.0001416", + "-0.0012096", + "-0.0064164", + "-0.0240982", + "-0.0651219", + "-0.1153134", + "-0.1233621", + "0.0651709", + "0.4037348", + "0.4903394", + "0.2085179" + ] + ] + } + ] + }, + "19": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.5586635e+06", + "5.3296997e+05", + "1.2129563e+05", + "3.4345988e+04", + "1.1198379e+04", + "4.0398279e+03", + "1.5743355e+03", + "6.5236103e+02", + "2.8411703e+02", + "1.2886229e+02", + "6.0372641e+01", + "2.8682919e+01", + "1.2376894e+01", + "5.9571968e+00", + "2.8608828e+00", + "1.1457122e+00", + "5.3332894e-01", + "2.3570045e-01", + "3.8232419e-02", + "1.6454963e-02" + ], + "coefficients": [ + [ + "0.0000050", + "0.0000389", + "0.0002047", + "0.0008649", + "0.0031440", + "0.0101729", + "0.0296164", + "0.0768459", + "0.1705967", + "0.2980880", + "0.3435990", + "0.1917384", + "0.0273350", + "-0.0017448", + "0.0012412", + "-0.0005318", + "0.0002266", + "-0.0000853", + "0.0000173", + "-0.0000084" + ], + [ + "-0.0000014", + "-0.0000112", + "-0.0000589", + "-0.0002485", + "-0.0009070", + "-0.0029463", + "-0.0087275", + "-0.0233399", + "-0.0558966", + "-0.1126608", + "-0.1758377", + "-0.1306597", + "0.1954482", + "0.5633501", + "0.3740947", + "0.0402678", + "-0.0031273", + "0.0015456", + "-0.0002156", + "0.0001010" + ], + [ + "0.0000005", + "0.0000037", + "0.0000194", + "0.0000818", + "0.0002995", + "0.0009698", + "0.0028900", + "0.0077132", + "0.0187339", + "0.0380209", + "0.0621069", + "0.0471179", + "-0.0774166", + "-0.3180778", + "-0.3358945", + "0.2845690", + "0.6861649", + "0.2889678", + "0.0044259", + "-0.0011595" + ], + [ + "-0.0000001", + "-0.0000007", + "-0.0000037", + "-0.0000158", + "-0.0000578", + "-0.0001874", + "-0.0005575", + "-0.0014912", + "-0.0036169", + "-0.0073736", + "-0.0120377", + "-0.0092652", + "0.0154251", + "0.0649057", + "0.0726045", + "-0.0749256", + "-0.1778375", + "-0.2299389", + "0.6997902", + "0.4354320" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.2915039e+03", + "5.4310114e+02", + "1.7573000e+02", + "6.6414998e+01", + "2.7612465e+01", + "1.2100454e+01", + "5.4718363e+00", + "2.5043530e+00", + "1.0712551e+00", + "4.4320680e-01", + "1.7483071e-01" + ], + "coefficients": [ + [ + "0.0004384", + "0.0037716", + "0.0199550", + "0.0751715", + "0.2010954", + "0.3603656", + "0.3763799", + "0.1528566", + "0.0119093", + "0.0004548", + "-0.0000603" + ], + [ + "-0.0001340", + "-0.0011498", + "-0.0061693", + "-0.0235453", + "-0.0656574", + "-0.1212071", + "-0.1393328", + "0.0434379", + "0.4067600", + "0.5095660", + "0.1871191" + ] + ] + } + ] + }, + "20": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.2475397e+06", + "6.3601893e+05", + "1.4478569e+05", + "4.1034867e+04", + "1.3395050e+04", + "4.8375583e+03", + "1.8870397e+03", + "7.8254999e+02", + "3.4100711e+02", + "1.5468661e+02", + "7.2427995e+01", + "3.4396115e+01", + "1.5170146e+01", + "7.3865864e+00", + "3.5829247e+00", + "1.5642882e+00", + "7.4791890e-01", + "3.3814534e-01", + "6.7000193e-02", + "2.6513478e-02" + ], + "coefficients": [ + [ + "0.0000046", + "0.0000355", + "0.0001867", + "0.0007873", + "0.0028587", + "0.0092474", + "0.0269717", + "0.0703968", + "0.1584950", + "0.2849702", + "0.3476908", + "0.2140546", + "0.0363589", + "-0.0020404", + "0.0016422", + "-0.0007382", + "0.0003083", + "-0.0001165", + "0.0000231", + "-0.0000098" + ], + [ + "-0.0000013", + "-0.0000103", + "-0.0000542", + "-0.0002287", + "-0.0008330", + "-0.0027059", + "-0.0080150", + "-0.0215348", + "-0.0519850", + "-0.1069501", + "-0.1729892", + "-0.1483729", + "0.1418178", + "0.5398446", + "0.4259598", + "0.0628262", + "-0.0023432", + "0.0016894", + "-0.0001938", + "0.0000817" + ], + [ + "0.0000005", + "0.0000036", + "0.0000187", + "0.0000788", + "0.0002876", + "0.0009331", + "0.0027737", + "0.0074576", + "0.0181890", + "0.0378320", + "0.0635401", + "0.0566444", + "-0.0588911", + "-0.3036919", + "-0.3908418", + "0.1586019", + "0.7092510", + "0.3854467", + "0.0095197", + "-0.0026819" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000045", + "-0.0000188", + "-0.0000688", + "-0.0002222", + "-0.0006638", + "-0.0017757", + "-0.0043639", + "-0.0090152", + "-0.0153875", + "-0.0134560", + "0.0137485", + "0.0788340", + "0.1021337", + "-0.0463216", + "-0.2542418", + "-0.2818718", + "0.6579809", + "0.5161886" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.6834654e+03", + "6.3605656e+02", + "2.0595354e+02", + "7.7952166e+01", + "3.2483785e+01", + "1.4295789e+01", + "6.5044100e+00", + "3.0043287e+00", + "1.3045206e+00", + "5.5433908e-01", + "2.2248372e-01" + ], + "coefficients": [ + [ + "0.0004067", + "0.0035082", + "0.0186725", + "0.0710229", + "0.1930769", + "0.3537818", + "0.3809579", + "0.1637482", + "0.0144810", + "0.0003092", + "-0.0000538" + ], + [ + "-0.0001329", + "-0.0011431", + "-0.0061686", + "-0.0237794", + "-0.0674182", + "-0.1276073", + "-0.1508035", + "0.0362456", + "0.4185222", + "0.5170591", + "0.1647558" + ] + ] + } + ] + }, + "21": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.7818845e+06", + "7.1614875e+05", + "1.6309132e+05", + "4.6215269e+04", + "1.5080403e+04", + "5.4457577e+03", + "2.1247810e+03", + "8.8134589e+02", + "3.8404403e+02", + "1.7414389e+02", + "8.1489748e+01", + "3.8690127e+01", + "1.7135563e+01", + "8.3810873e+00", + "4.0800590e+00", + "1.7970384e+00", + "8.6075618e-01", + "3.8910737e-01", + "7.7072718e-02", + "2.9795887e-02" + ], + "coefficients": [ + [ + "0.0000045", + "0.0000346", + "0.0001819", + "0.0007676", + "0.0027887", + "0.0090212", + "0.0263192", + "0.0688121", + "0.1555964", + "0.2819643", + "0.3486378", + "0.2192331", + "0.0385440", + "-0.0021598", + "0.0017100", + "-0.0007745", + "0.0003207", + "-0.0001191", + "0.0000232", + "-0.0000097" + ], + [ + "-0.0000013", + "-0.0000101", + "-0.0000533", + "-0.0002251", + "-0.0008202", + "-0.0026645", + "-0.0078920", + "-0.0212355", + "-0.0514292", + "-0.1064927", + "-0.1738644", + "-0.1530803", + "0.1345302", + "0.5393141", + "0.4314072", + "0.0654694", + "-0.0021307", + "0.0016830", + "-0.0001831", + "0.0000764" + ], + [ + "0.0000005", + "0.0000036", + "0.0000188", + "0.0000792", + "0.0002892", + "0.0009385", + "0.0027897", + "0.0075123", + "0.0183824", + "0.0384944", + "0.0652725", + "0.0598559", + "-0.0572599", + "-0.3123630", + "-0.4009922", + "0.1663933", + "0.7145820", + "0.3798790", + "0.0095947", + "-0.0026254" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000045", + "-0.0000188", + "-0.0000687", + "-0.0002220", + "-0.0006637", + "-0.0017765", + "-0.0043856", + "-0.0091084", + "-0.0157303", + "-0.0141009", + "0.0131454", + "0.0810232", + "0.1038266", + "-0.0472917", + "-0.2609165", + "-0.2685469", + "0.6457664", + "0.5257468" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.0349075e+03", + "7.1927593e+02", + "2.3293001e+02", + "8.8215584e+01", + "3.6798617e+01", + "1.6227017e+01", + "7.4064448e+00", + "3.4326423e+00", + "1.5041091e+00", + "6.4306773e-01", + "2.5817896e-01" + ], + "coefficients": [ + [ + "0.0003967", + "0.0034272", + "0.0183097", + "0.0700031", + "0.1916623", + "0.3538031", + "0.3818328", + "0.1636690", + "0.0145794", + "0.0004604", + "-0.0000231" + ], + [ + "-0.0001336", + "-0.0011517", + "-0.0062358", + "-0.0241870", + "-0.0690845", + "-0.1321923", + "-0.1554649", + "0.0412942", + "0.4278064", + "0.5110799", + "0.1582319" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.1012131e+02", + "3.2766162e+01", + "1.2295402e+01", + "5.0527250e+00", + "2.2182701e+00", + "9.8851230e-01", + "4.3487101e-01", + "1.8517233e-01", + "7.3251723e-02" + ], + "coefficients": [ + [ + "0.0009830", + "0.0079487", + "0.0335702", + "0.1000364", + "0.2128792", + "0.3154672", + "0.3476698", + "0.2581227", + "0.0883315" + ] + ] + } + ] + }, + "22": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.2907325e+06", + "7.9232400e+05", + "1.8025787e+05", + "5.1036766e+04", + "1.6645747e+04", + "6.0092689e+03", + "2.3439756e+03", + "9.7210820e+02", + "4.2364078e+02", + "1.9219068e+02", + "9.0012039e+01", + "4.2798469e+01", + "1.9040131e+01", + "9.3502751e+00", + "4.5683615e+00", + "2.0237580e+00", + "9.6835392e-01", + "4.3691460e-01", + "8.5128540e-02", + "3.2325248e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000343", + "0.0001806", + "0.0007628", + "0.0027722", + "0.0089718", + "0.0261901", + "0.0685086", + "0.1550032", + "0.2811616", + "0.3484729", + "0.2204097", + "0.0392455", + "-0.0021784", + "0.0016980", + "-0.0007687", + "0.0003127", + "-0.0001147", + "0.0000218", + "-0.0000090" + ], + [ + "-0.0000013", + "-0.0000101", + "-0.0000534", + "-0.0002255", + "-0.0008222", + "-0.0026724", + "-0.0079191", + "-0.0213233", + "-0.0516717", + "-0.1071394", + "-0.1751611", + "-0.1551475", + "0.1338008", + "0.5412701", + "0.4309238", + "0.0657221", + "-0.0018562", + "0.0016306", + "-0.0001685", + "0.0000701" + ], + [ + "0.0000005", + "0.0000036", + "0.0000191", + "0.0000806", + "0.0002942", + "0.0009552", + "0.0028409", + "0.0076559", + "0.0187487", + "0.0393268", + "0.0668238", + "0.0617237", + "-0.0581199", + "-0.3219719", + "-0.4043776", + "0.1809101", + "0.7161497", + "0.3712937", + "0.0092123", + "-0.0025158" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000044", + "-0.0000187", + "-0.0000685", + "-0.0002212", + "-0.0006618", + "-0.0017720", + "-0.0043803", + "-0.0091075", + "-0.0157769", + "-0.0142250", + "0.0130207", + "0.0819972", + "0.1023196", + "-0.0501987", + "-0.2588867", + "-0.2546582", + "0.6358885", + "0.5305687" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.4008710e+03", + "8.0600523e+02", + "2.6106850e+02", + "9.8927698e+01", + "4.1304187e+01", + "1.8244936e+01", + "8.3491857e+00", + "3.8790592e+00", + "1.7104755e+00", + "7.3338658e-01", + "2.9460571e-01" + ], + "coefficients": [ + [ + "0.0003892", + "0.0033670", + "0.0180416", + "0.0692753", + "0.1907783", + "0.3541736", + "0.3823376", + "0.1630877", + "0.0145995", + "0.0006150", + "0.0000011" + ], + [ + "-0.0001339", + "-0.0011562", + "-0.0062772", + "-0.0244732", + "-0.0703326", + "-0.1357464", + "-0.1585847", + "0.0463442", + "0.4337559", + "0.5055714", + "0.1550809" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.3415273e+02", + "3.9978162e+01", + "1.5100525e+01", + "6.2609447e+00", + "2.7729626e+00", + "1.2500572e+00", + "5.5627752e-01", + "2.3936466e-01", + "9.5144997e-02" + ], + "coefficients": [ + [ + "0.0009222", + "0.0076265", + "0.0331277", + "0.0998590", + "0.2151770", + "0.3199048", + "0.3472098", + "0.2491563", + "0.0810069" + ] + ] + } + ] + }, + "23": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.8319890e+06", + "8.7290684e+05", + "1.9855651e+05", + "5.6210168e+04", + "1.8326484e+04", + "6.6117439e+03", + "2.5771401e+03", + "1.0681776e+03", + "4.6532272e+02", + "2.1106423e+02", + "9.8861109e+01", + "4.7034216e+01", + "2.0963376e+01", + "1.0333047e+01", + "5.0644056e+00", + "2.2521704e+00", + "1.0761949e+00", + "4.8481810e-01", + "9.2884312e-02", + "3.4712323e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000340", + "0.0001790", + "0.0007563", + "0.0027508", + "0.0089129", + "0.0260471", + "0.0682097", + "0.1545250", + "0.2807306", + "0.3486306", + "0.2212254", + "0.0395853", + "-0.0022553", + "0.0017004", + "-0.0007695", + "0.0003099", + "-0.0001120", + "0.0000209", + "-0.0000086" + ], + [ + "-0.0000013", + "-0.0000101", + "-0.0000533", + "-0.0002253", + "-0.0008220", + "-0.0026748", + "-0.0079352", + "-0.0213915", + "-0.0519097", + "-0.1078316", + "-0.1766104", + "-0.1567864", + "0.1353394", + "0.5441340", + "0.4283132", + "0.0650596", + "-0.0016271", + "0.0015754", + "-0.0001555", + "0.0000647" + ], + [ + "0.0000005", + "0.0000037", + "0.0000193", + "0.0000814", + "0.0002976", + "0.0009672", + "0.0028798", + "0.0077698", + "0.0190584", + "0.0400604", + "0.0682421", + "0.0632497", + "-0.0598714", + "-0.3315280", + "-0.4047580", + "0.1969471", + "0.7160543", + "0.3621028", + "0.0087796", + "-0.0023990" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000044", + "-0.0000185", + "-0.0000677", + "-0.0002190", + "-0.0006561", + "-0.0017584", + "-0.0043551", + "-0.0090710", + "-0.0157635", + "-0.0142483", + "0.0131032", + "0.0827524", + "0.0999516", + "-0.0534115", + "-0.2553204", + "-0.2420083", + "0.6273723", + "0.5343958" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.7817979e+03", + "8.9626035e+02", + "2.9035066e+02", + "1.1008007e+02", + "4.5998551e+01", + "2.0349611e+01", + "9.3332976e+00", + "4.3443844e+00", + "1.9249072e+00", + "8.2682494e-01", + "3.3221090e-01" + ], + "coefficients": [ + [ + "0.0003836", + "0.0033221", + "0.0178457", + "0.0687674", + "0.1902781", + "0.3547628", + "0.3825621", + "0.1621871", + "0.0145510", + "0.0007556", + "0.0000214" + ], + [ + "-0.0001342", + "-0.0011606", + "-0.0063154", + "-0.0247290", + "-0.0714254", + "-0.1388119", + "-0.1609011", + "0.0513811", + "0.4385001", + "0.5005844", + "0.1526259" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.5568903e+02", + "4.6446801e+01", + "1.7607396e+01", + "7.3430499e+00", + "3.2688205e+00", + "1.4810032e+00", + "6.6123819e-01", + "2.8482373e-01", + "1.1288644e-01" + ], + "coefficients": [ + [ + "0.0009086", + "0.0076074", + "0.0335966", + "0.1018064", + "0.2190178", + "0.3230088", + "0.3447646", + "0.2430276", + "0.0777844" + ] + ] + } + ] + }, + "24": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.1720976e+06", + "9.2415390e+05", + "2.1026203e+05", + "5.9532035e+04", + "1.9415376e+04", + "7.0083170e+03", + "2.7335326e+03", + "1.1338203e+03", + "4.9431488e+02", + "2.2442243e+02", + "1.0523054e+02", + "5.0115627e+01", + "2.2195679e+01", + "1.0955672e+01", + "5.3706163e+00", + "2.3352455e+00", + "1.1016149e+00", + "4.8661229e-01", + "8.9632295e-02", + "3.3424357e-02" + ], + "coefficients": [ + [ + "0.0000045", + "0.0000352", + "0.0001854", + "0.0007834", + "0.0028471", + "0.0092137", + "0.0268775", + "0.0701893", + "0.1582256", + "0.2849137", + "0.3478264", + "0.2142947", + "0.0361744", + "-0.0023524", + "0.0015722", + "-0.0006996", + "0.0002803", + "-0.0000995", + "0.0000192", + "-0.0000079" + ], + [ + "-0.0000014", + "-0.0000106", + "-0.0000556", + "-0.0002349", + "-0.0008568", + "-0.0027844", + "-0.0082513", + "-0.0221947", + "-0.0537245", + "-0.1109722", + "-0.1799446", + "-0.1529510", + "0.1585355", + "0.5586303", + "0.4049677", + "0.0542860", + "-0.0018304", + "0.0014261", + "-0.0000360", + "0.0001659" + ], + [ + "0.0000005", + "0.0000038", + "0.0000201", + "0.0000850", + "0.0003106", + "0.0010075", + "0.0029992", + "0.0080676", + "0.0197702", + "0.0412879", + "0.0698804", + "0.0618254", + "-0.0710120", + "-0.3530120", + "-0.3818183", + "0.2701543", + "0.7059643", + "0.3117417", + "0.0068730", + "-0.0020480" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000043", + "-0.0000179", + "-0.0000657", + "-0.0002122", + "-0.0006355", + "-0.0016985", + "-0.0042014", + "-0.0086982", + "-0.0150118", + "-0.0129568", + "0.0146379", + "0.0818600", + "0.0881479", + "-0.0705885", + "-0.2425842", + "-0.1928463", + "0.5998721", + "0.5434399" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.0683089e+03", + "9.6413910e+02", + "3.1233108e+02", + "1.1842887e+02", + "4.9495233e+01", + "2.1899634e+01", + "1.0046761e+01", + "4.6619640e+00", + "2.0710410e+00", + "8.8228347e-01", + "3.4823660e-01" + ], + "coefficients": [ + [ + "0.0003974", + "0.0034410", + "0.0184848", + "0.0711489", + "0.1960633", + "0.3617606", + "0.3790373", + "0.1509809", + "0.0121073", + "0.0010525", + "0.0000564" + ], + [ + "-0.0001393", + "-0.0012061", + "-0.0065588", + "-0.0257014", + "-0.0739287", + "-0.1428021", + "-0.1582953", + "0.0709664", + "0.4483026", + "0.4842877", + "0.1504166" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.5077374e+02", + "4.4967010e+01", + "1.6944101e+01", + "7.0297510e+00", + "3.0976337e+00", + "1.3729374e+00", + "5.9131412e-01", + "2.4189382e-01", + "9.1204652e-02" + ], + "coefficients": [ + [ + "0.0011684", + "0.0095574", + "0.0409867", + "0.1199372", + "0.2388955", + "0.3245695", + "0.3273466", + "0.2404227", + "0.0905139" + ] + ] + } + ] + }, + "25": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.8969413e+06", + "1.0329295e+06", + "2.3515659e+05", + "6.6646860e+04", + "2.1754558e+04", + "7.8567090e+03", + "3.0649691e+03", + "1.2712628e+03", + "5.5418559e+02", + "2.5157502e+02", + "1.1794621e+02", + "5.6195038e+01", + "2.5141012e+01", + "1.2463972e+01", + "6.1348453e+00", + "2.7425271e+00", + "1.3046153e+00", + "5.8460171e-01", + "1.0753438e-01", + "3.9108924e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000340", + "0.0001786", + "0.0007533", + "0.0027359", + "0.0088547", + "0.0258621", + "0.0677240", + "0.1535530", + "0.2795616", + "0.3486760", + "0.2230235", + "0.0403788", + "-0.0023740", + "0.0017009", + "-0.0007647", + "0.0003023", + "-0.0001063", + "0.0000192", + "-0.0000079" + ], + [ + "-0.0000013", + "-0.0000102", + "-0.0000539", + "-0.0002273", + "-0.0008281", + "-0.0026920", + "-0.0079816", + "-0.0215191", + "-0.0522722", + "-0.1088575", + "-0.1789165", + "-0.1599092", + "0.1371470", + "0.5488043", + "0.4247742", + "0.0641187", + "-0.0012532", + "0.0014814", + "-0.0001353", + "0.0000565" + ], + [ + "0.0000005", + "0.0000038", + "0.0000198", + "0.0000835", + "0.0003048", + "0.0009896", + "0.0029450", + "0.0079475", + "0.0195201", + "0.0411538", + "0.0704243", + "0.0658589", + "-0.0624858", + "-0.3464542", + "-0.4036309", + "0.2213441", + "0.7146001", + "0.3486167", + "0.0080425", + "-0.0022245" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000043", + "-0.0000181", + "-0.0000662", + "-0.0002138", + "-0.0006404", + "-0.0017163", + "-0.0042578", + "-0.0088925", + "-0.0155322", + "-0.0141595", + "0.0130584", + "0.0826955", + "0.0948319", + "-0.0574594", + "-0.2448431", + "-0.2220919", + "0.6128641", + "0.5401596" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.5903067e+03", + "1.0878160e+03", + "3.5249282e+02", + "1.3375097e+02", + "5.5966887e+01", + "2.4823398e+01", + "1.1427156e+01", + "5.3328289e+00", + "2.3787387e+00", + "1.0236271e+00", + "4.1123216e-01" + ], + "coefficients": [ + [ + "0.0003760", + "0.0032617", + "0.0175929", + "0.0681821", + "0.1900373", + "0.3563352", + "0.3824368", + "0.1598648", + "0.0143434", + "0.0009939", + "0.0000531" + ], + [ + "-0.0001348", + "-0.0011690", + "-0.0063846", + "-0.0251767", + "-0.0732889", + "-0.1438863", + "-0.1638498", + "0.0610929", + "0.4454996", + "0.4918409", + "0.1491168" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.9961730e+02", + "5.9652331e+01", + "2.2717356e+01", + "9.5501750e+00", + "4.2792820e+00", + "1.9492073e+00", + "8.7246962e-01", + "3.7547454e-01", + "1.4794981e-01" + ], + "coefficients": [ + [ + "0.0009032", + "0.0076862", + "0.0347381", + "0.1059935", + "0.2260813", + "0.3274469", + "0.3398670", + "0.2337885", + "0.0735626" + ] + ] + } + ] + }, + "26": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.4828554e+06", + "1.1202498e+06", + "2.5500567e+05", + "7.2270596e+04", + "2.3592215e+04", + "8.5223355e+03", + "3.3261679e+03", + "1.3805240e+03", + "6.0226675e+02", + "2.7359182e+02", + "1.2834179e+02", + "6.1188823e+01", + "2.7429037e+01", + "1.3630694e+01", + "6.7191997e+00", + "3.0086294e+00", + "1.4304214e+00", + "6.4011010e-01", + "1.1664131e-01", + "4.1807244e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000339", + "0.0001781", + "0.0007514", + "0.0027283", + "0.0088263", + "0.0257607", + "0.0674173", + "0.1528693", + "0.2786811", + "0.3486798", + "0.2243147", + "0.0409751", + "-0.0024266", + "0.0017084", + "-0.0007669", + "0.0003026", + "-0.0001052", + "0.0000188", + "-0.0000077" + ], + [ + "-0.0000013", + "-0.0000103", + "-0.0000541", + "-0.0002280", + "-0.0008305", + "-0.0026985", + "-0.0079949", + "-0.0215431", + "-0.0523321", + "-0.1091199", + "-0.1797694", + "-0.1616163", + "0.1367418", + "0.5502745", + "0.4245204", + "0.0641232", + "-0.0011796", + "0.0014662", + "-0.0001294", + "0.0000540" + ], + [ + "0.0000005", + "0.0000038", + "0.0000200", + "0.0000844", + "0.0003080", + "0.0009995", + "0.0029726", + "0.0080179", + "0.0196956", + "0.0415856", + "0.0713548", + "0.0671933", + "-0.0631341", + "-0.3524425", + "-0.4041954", + "0.2302068", + "0.7144651", + "0.3435258", + "0.0079125", + "-0.0021725" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000043", + "-0.0000180", + "-0.0000660", + "-0.0002131", + "-0.0006379", + "-0.0017080", + "-0.0042402", + "-0.0088630", + "-0.0155381", + "-0.0142403", + "0.0129759", + "0.0831773", + "0.0934541", + "-0.0586456", + "-0.2436704", + "-0.2139420", + "0.6061947", + "0.5444060" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.0205601e+03", + "1.1898254e+03", + "3.8558756e+02", + "1.4636046e+02", + "6.1279634e+01", + "2.7209812e+01", + "1.2544871e+01", + "5.8602717e+00", + "2.6211288e+00", + "1.1292994e+00", + "4.5312830e-01" + ], + "coefficients": [ + [ + "0.0003731", + "0.0032386", + "0.0174986", + "0.0679798", + "0.1900447", + "0.3571227", + "0.3822984", + "0.1587289", + "0.0142017", + "0.0010832", + "0.0000718" + ], + [ + "-0.0001353", + "-0.0011745", + "-0.0064248", + "-0.0254115", + "-0.0742146", + "-0.1463043", + "-0.1651852", + "0.0657162", + "0.4495073", + "0.4878728", + "0.1462708" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.1714352e+02", + "6.4927929e+01", + "2.4741283e+01", + "1.0420545e+01", + "4.6729190e+00", + "2.1235331e+00", + "9.4477537e-01", + "4.0249248e-01", + "1.5657504e-01" + ], + "coefficients": [ + [ + "0.0009475", + "0.0080766", + "0.0365915", + "0.1112351", + "0.2327618", + "0.3290485", + "0.3346282", + "0.2298259", + "0.0742418" + ] + ] + } + ] + }, + "27": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.1274849e+06", + "1.2169310e+06", + "2.7685855e+05", + "7.8395837e+04", + "2.5572818e+04", + "9.2333529e+03", + "3.6026625e+03", + "1.4948916e+03", + "6.5195740e+02", + "2.9608982e+02", + "1.3889200e+02", + "6.6246027e+01", + "2.9739316e+01", + "1.4808276e+01", + "7.3091632e+00", + "3.2745812e+00", + "1.5556182e+00", + "6.9531715e-01", + "1.2522692e-01", + "4.4300847e-02" + ], + "coefficients": [ + [ + "0.0000043", + "0.0000336", + "0.0001768", + "0.0007469", + "0.0027142", + "0.0087846", + "0.0256501", + "0.0671815", + "0.1525171", + "0.2784056", + "0.3488316", + "0.2248757", + "0.0411817", + "-0.0024608", + "0.0016985", + "-0.0007606", + "0.0002995", + "-0.0001030", + "0.0000182", + "-0.0000074" + ], + [ + "-0.0000013", + "-0.0000102", + "-0.0000539", + "-0.0002278", + "-0.0008304", + "-0.0026995", + "-0.0080012", + "-0.0215781", + "-0.0524835", + "-0.1096062", + "-0.1808111", + "-0.1627926", + "0.1381078", + "0.5524370", + "0.4226615", + "0.0634558", + "-0.0011195", + "0.0014435", + "-0.0001237", + "0.0000516" + ], + [ + "0.0000005", + "0.0000038", + "0.0000201", + "0.0000848", + "0.0003098", + "0.0010060", + "0.0029932", + "0.0080803", + "0.0198766", + "0.0420416", + "0.0722659", + "0.0682121", + "-0.0645464", + "-0.3587157", + "-0.4027417", + "0.2409091", + "0.7132143", + "0.3375020", + "0.0076931", + "-0.0021068" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000042", + "-0.0000178", + "-0.0000653", + "-0.0002110", + "-0.0006322", + "-0.0016935", + "-0.0042116", + "-0.0088151", + "-0.0154919", + "-0.0142154", + "0.0130386", + "0.0834296", + "0.0914023", + "-0.0602315", + "-0.2409640", + "-0.2059496", + "0.6001158", + "0.5478557" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.4706708e+03", + "1.2964285e+03", + "4.2017667e+02", + "1.5954076e+02", + "6.6833344e+01", + "2.9705624e+01", + "1.3714338e+01", + "6.4119967e+00", + "2.8739016e+00", + "1.2390050e+00", + "4.9661303e-01" + ], + "coefficients": [ + [ + "0.0003704", + "0.0032173", + "0.0174103", + "0.0677890", + "0.1900462", + "0.3578236", + "0.3821418", + "0.1577574", + "0.0141058", + "0.0011636", + "0.0000881" + ], + [ + "-0.0001356", + "-0.0011781", + "-0.0064536", + "-0.0255960", + "-0.0749832", + "-0.1483604", + "-0.1661747", + "0.0697897", + "0.4524569", + "0.4844449", + "0.1443564" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.3750142e+02", + "7.1059921e+01", + "2.7105622e+01", + "1.1440801e+01", + "5.1365174e+00", + "2.3323545e+00", + "1.0343418e+00", + "4.3801404e-01", + "1.6898561e-01" + ], + "coefficients": [ + [ + "0.0009718", + "0.0083082", + "0.0378052", + "0.1147549", + "0.2372298", + "0.3301672", + "0.3310873", + "0.2267233", + "0.0742589" + ] + ] + } + ] + }, + "28": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.6900815e+06", + "1.3012542e+06", + "2.9616801e+05", + "8.3931628e+04", + "2.7402652e+04", + "9.9027873e+03", + "3.8665002e+03", + "1.6052159e+03", + "7.0044823e+02", + "3.1831765e+02", + "1.4943268e+02", + "7.1343587e+01", + "3.2070080e+01", + "1.6005063e+01", + "7.9134911e+00", + "3.5524034e+00", + "1.6855190e+00", + "7.5229194e-01", + "1.3375995e-01", + "4.6740775e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000339", + "0.0001780", + "0.0007510", + "0.0027257", + "0.0088123", + "0.0257131", + "0.0673057", + "0.1526901", + "0.2784889", + "0.3486200", + "0.2245967", + "0.0410815", + "-0.0024989", + "0.0016881", + "-0.0007536", + "0.0002952", + "-0.0001006", + "0.0000175", + "-0.0000071" + ], + [ + "-0.0000013", + "-0.0000104", + "-0.0000546", + "-0.0002301", + "-0.0008378", + "-0.0027208", + "-0.0080595", + "-0.0217254", + "-0.0528235", + "-0.1102826", + "-0.1818515", + "-0.1633287", + "0.1407442", + "0.5545364", + "0.4197709", + "0.0626544", + "-0.0009903", + "0.0014050", + "-0.0001157", + "0.0000483" + ], + [ + "0.0000005", + "0.0000039", + "0.0000204", + "0.0000862", + "0.0003142", + "0.0010192", + "0.0030307", + "0.0081785", + "0.0201131", + "0.0425416", + "0.0731233", + "0.0689243", + "-0.0665947", + "-0.3647052", + "-0.4002842", + "0.2505037", + "0.7118538", + "0.3323821", + "0.0074935", + "-0.0020508" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000042", + "-0.0000178", + "-0.0000652", + "-0.0002103", + "-0.0006299", + "-0.0016863", + "-0.0041940", + "-0.0087748", + "-0.0154305", + "-0.0141232", + "0.0132353", + "0.0835721", + "0.0891593", + "-0.0614807", + "-0.2378779", + "-0.1988118", + "0.5945110", + "0.5509431" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.9376804e+03", + "1.4070620e+03", + "4.5607476e+02", + "1.7322250e+02", + "7.2600504e+01", + "3.2299176e+01", + "1.4930386e+01", + "6.9857092e+00", + "3.1363852e+00", + "1.3527433e+00", + "5.4162683e-01" + ], + "coefficients": [ + [ + "0.0003682", + "0.0031996", + "0.0173390", + "0.0676470", + "0.1901170", + "0.3585185", + "0.3819221", + "0.1568020", + "0.0140151", + "0.0012345", + "0.0001030" + ], + [ + "-0.0001359", + "-0.0011815", + "-0.0064805", + "-0.0257663", + "-0.0756874", + "-0.1502181", + "-0.1669361", + "0.0736153", + "0.4549810", + "0.4812960", + "0.1427265" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.5921026e+02", + "7.7609926e+01", + "2.9636116e+01", + "1.2534945e+01", + "5.6341648e+00", + "2.5569081e+00", + "1.1309157e+00", + "4.7644074e-01", + "1.8244327e-01" + ], + "coefficients": [ + [ + "0.0009896", + "0.0084842", + "0.0387734", + "0.1175685", + "0.2407408", + "0.3310213", + "0.3282795", + "0.2242447", + "0.0743189" + ] + ] + } + ] + }, + "29": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.1398231e+06", + "1.3682990e+06", + "3.1127754e+05", + "8.8161341e+04", + "2.8762972e+04", + "1.0383738e+04", + "4.0494828e+03", + "1.6792376e+03", + "7.3206037e+02", + "3.3250681e+02", + "1.5609025e+02", + "7.4538982e+01", + "3.3230429e+01", + "1.6575664e+01", + "8.1861197e+00", + "3.5976933e+00", + "1.6782720e+00", + "7.3197908e-01", + "1.1022280e-01", + "3.8783706e-02" + ], + "coefficients": [ + [ + "0.0000045", + "0.0000347", + "0.0001828", + "0.0007718", + "0.0028041", + "0.0090782", + "0.0265109", + "0.0693648", + "0.1568308", + "0.2835672", + "0.3482537", + "0.2166715", + "0.0369534", + "-0.0025873", + "0.0015548", + "-0.0006762", + "0.0002588", + "-0.0000845", + "0.0000140", + "-0.0000061" + ], + [ + "-0.0000014", + "-0.0000107", + "-0.0000563", + "-0.0002375", + "-0.0008658", + "-0.0028152", + "-0.0083523", + "-0.0225162", + "-0.0547045", + "-0.1136065", + "-0.1852866", + "-0.1582668", + "0.1678404", + "0.5687205", + "0.3932909", + "0.0513641", + "-0.0010381", + "0.0012177", + "-0.0000942", + "0.0000406" + ], + [ + "0.0000005", + "0.0000040", + "0.0000211", + "0.0000888", + "0.0003243", + "0.0010528", + "0.0031378", + "0.0084622", + "0.0208234", + "0.0437837", + "0.0746753", + "0.0667779", + "-0.0804137", + "-0.3859325", + "-0.3708168", + "0.3227175", + "0.7030075", + "0.2784777", + "0.0050498", + "-0.0013423" + ], + [ + "-0.0000001", + "-0.0000007", + "-0.0000037", + "-0.0000154", + "-0.0000563", + "-0.0001819", + "-0.0005452", + "-0.0014619", + "-0.0036283", + "-0.0075716", + "-0.0131494", + "-0.0115160", + "0.0137606", + "0.0734021", + "0.0693614", + "-0.0693389", + "-0.1935280", + "-0.1509588", + "0.5583025", + "0.5590387" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.2763065e+03", + "1.4873219e+03", + "4.8207208e+02", + "1.8309890e+02", + "7.6739892e+01", + "3.4137484e+01", + "1.5773843e+01", + "7.3530369e+00", + "3.3011626e+00", + "1.4135605e+00", + "5.5657782e-01" + ], + "coefficients": [ + [ + "0.0003813", + "0.0033120", + "0.0179404", + "0.0698766", + "0.1954802", + "0.3646717", + "0.3784021", + "0.1472507", + "0.0119390", + "0.0014063", + "0.0001322" + ], + [ + "-0.0001406", + "-0.0012234", + "-0.0067042", + "-0.0266514", + "-0.0779320", + "-0.1534888", + "-0.1634771", + "0.0910131", + "0.4628286", + "0.4679817", + "0.1390093" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.4912421e+02", + "7.4572328e+01", + "2.8349338e+01", + "1.1935426e+01", + "5.3108813e+00", + "2.3617369e+00", + "1.0116754e+00", + "4.0661468e-01", + "1.4726709e-01" + ], + "coefficients": [ + [ + "0.0012461", + "0.0104741", + "0.0465143", + "0.1355665", + "0.2585576", + "0.3312666", + "0.3134018", + "0.2194145", + "0.0835783" + ] + ] + } + ] + }, + "30": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.0036228e+07", + "1.5021900e+06", + "3.4177987e+05", + "9.6815713e+04", + "3.1600670e+04", + "1.1419196e+04", + "4.4592400e+03", + "1.8517321e+03", + "8.0820050e+02", + "3.6736355e+02", + "1.7250466e+02", + "8.2415142e+01", + "3.7105785e+01", + "1.8577586e+01", + "9.2028953e+00", + "4.1350531e+00", + "1.9567275e+00", + "8.7032522e-01", + "1.5045184e-01", + "5.1406731e-02" + ], + "coefficients": [ + [ + "0.0000043", + "0.0000337", + "0.0001771", + "0.0007475", + "0.0027136", + "0.0087726", + "0.0255935", + "0.0670073", + "0.1521495", + "0.2779679", + "0.3488154", + "0.2254908", + "0.0413478", + "-0.0025882", + "0.0016839", + "-0.0007461", + "0.0002914", + "-0.0000973", + "0.0000165", + "-0.0000067" + ], + [ + "-0.0000013", + "-0.0000104", + "-0.0000547", + "-0.0002310", + "-0.0008410", + "-0.0027311", + "-0.0080891", + "-0.0218111", + "-0.0530918", + "-0.1110638", + "-0.1835901", + "-0.1651905", + "0.1438220", + "0.5581501", + "0.4160575", + "0.0614059", + "-0.0008647", + "0.0013568", + "-0.0001058", + "0.0000442" + ], + [ + "0.0000005", + "0.0000039", + "0.0000207", + "0.0000872", + "0.0003180", + "0.0010314", + "0.0030666", + "0.0082785", + "0.0203856", + "0.0432205", + "0.0745194", + "0.0704864", + "-0.0694178", + "-0.3744560", + "-0.3959557", + "0.2669023", + "0.7090041", + "0.3233881", + "0.0070980", + "-0.0019495" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000041", + "-0.0000174", + "-0.0000638", + "-0.0002058", + "-0.0006164", + "-0.0016503", + "-0.0041118", + "-0.0086187", + "-0.0152148", + "-0.0139574", + "0.0133428", + "0.0831042", + "0.0849332", + "-0.0632036", + "-0.2307022", + "-0.1862722", + "0.5842461", + "0.5564179" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.9201524e+03", + "1.6398846e+03", + "5.3161577e+02", + "2.0201491e+02", + "8.4740899e+01", + "3.7761549e+01", + "1.7491794e+01", + "8.1920706e+00", + "3.6875273e+00", + "1.5909855e+00", + "6.3578479e-01" + ], + "coefficients": [ + [ + "0.0003650", + "0.0031746", + "0.0172455", + "0.0675109", + "0.1905049", + "0.3600061", + "0.3813335", + "0.1547586", + "0.0137824", + "0.0013621", + "0.0001258" + ], + [ + "-0.0001365", + "-0.0011883", + "-0.0065324", + "-0.0260831", + "-0.0769639", + "-0.1534867", + "-0.1678544", + "0.0809278", + "0.4591330", + "0.4754874", + "0.1400139" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.0546118e+02", + "9.1534489e+01", + "3.5008941e+01", + "1.4857413e+01", + "6.6907118e+00", + "3.0347783e+00", + "1.3377787e+00", + "5.5971798e-01", + "2.1206946e-01" + ], + "coefficients": [ + [ + "0.0010195", + "0.0087911", + "0.0404922", + "0.1225016", + "0.2467740", + "0.3325123", + "0.3234741", + "0.2193073", + "0.0736002" + ] + ] + } + ] + }, + "31": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.0908648e+07", + "1.6331440e+06", + "3.7154716e+05", + "1.0520587e+05", + "3.4317027e+04", + "1.2390511e+04", + "4.8344224e+03", + "2.0059803e+03", + "8.7502749e+02", + "3.9767759e+02", + "1.8680215e+02", + "8.9340034e+01", + "4.0464670e+01", + "2.0326421e+01", + "1.0104312e+01", + "4.6012748e+00", + "2.2038358e+00", + "1.0016927e+00", + "2.0088065e-01", + "7.1019569e-02" + ], + "coefficients": [ + [ + "0.0000042", + "0.0000329", + "0.0001733", + "0.0007320", + "0.0026604", + "0.0086128", + "0.0251673", + "0.0660205", + "0.1503078", + "0.2757100", + "0.3487594", + "0.2290321", + "0.0434362", + "-0.0025714", + "0.0017493", + "-0.0007930", + "0.0003203", + "-0.0001108", + "0.0000206", + "-0.0000079" + ], + [ + "-0.0000013", + "-0.0000102", + "-0.0000537", + "-0.0002270", + "-0.0008275", + "-0.0026910", + "-0.0079806", + "-0.0215582", + "-0.0525703", + "-0.1103097", + "-0.1832100", + "-0.1681834", + "0.1337215", + "0.5522112", + "0.4256564", + "0.0672162", + "-0.0007718", + "0.0014540", + "-0.0001349", + "0.0000505" + ], + [ + "0.0000005", + "0.0000039", + "0.0000205", + "0.0000865", + "0.0003159", + "0.0010266", + "0.0030551", + "0.0082663", + "0.0203809", + "0.0433730", + "0.0750600", + "0.0726038", + "-0.0653648", + "-0.3716892", + "-0.4080125", + "0.2397119", + "0.7096931", + "0.3468103", + "0.0090659", + "-0.0021730" + ], + [ + "-0.0000001", + "-0.0000009", + "-0.0000048", + "-0.0000201", + "-0.0000737", + "-0.0002379", + "-0.0007138", + "-0.0019140", + "-0.0047796", + "-0.0100445", + "-0.0178332", + "-0.0166810", + "0.0144138", + "0.0964548", + "0.1017062", + "-0.0639938", + "-0.2751124", + "-0.2283342", + "0.6410237", + "0.5281966" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.4707924e+04", + "3.4830515e+03", + "1.1309123e+03", + "4.3188517e+02", + "1.8257121e+02", + "8.2778162e+01", + "3.9263393e+01", + "1.9219420e+01", + "9.5147508e+00", + "4.5553226e+00", + "2.1176464e+00", + "9.4508431e-01", + "3.0107644e-01", + "1.1042154e-01", + "3.9909820e-02" + ], + "coefficients": [ + [ + "0.0001110", + "0.0009812", + "0.0055621", + "0.0235855", + "0.0779295", + "0.1944951", + "0.3408342", + "0.3575574", + "0.1647980", + "0.0219805", + "0.0013779", + "0.0003393", + "0.0000274", + "-0.0000078", + "0.0000015" + ], + [ + "-0.0000420", + "-0.0003726", + "-0.0021191", + "-0.0091040", + "-0.0307815", + "-0.0802410", + "-0.1482501", + "-0.1600910", + "0.0448964", + "0.3877321", + "0.4815570", + "0.2182541", + "0.0153000", + "-0.0018356", + "0.0006436" + ], + [ + "0.0000068", + "0.0000612", + "0.0003453", + "0.0014977", + "0.0050320", + "0.0133062", + "0.0243994", + "0.0271315", + "-0.0117974", + "-0.0735438", + "-0.1059430", + "-0.0363563", + "0.2496751", + "0.5499859", + "0.3516682" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.6310197e+02", + "1.0890209e+02", + "4.1820788e+01", + "1.7859189e+01", + "8.1113959e+00", + "3.7325306e+00", + "1.6813983e+00", + "7.2615148e-01", + "2.8488905e-01" + ], + "coefficients": [ + [ + "0.0008760", + "0.0076912", + "0.0364550", + "0.1134134", + "0.2378642", + "0.3330366", + "0.3311678", + "0.2187755", + "0.0651337" + ] + ] + } + ] + }, + "32": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.4298728e+06", + "1.1130217e+06", + "2.5337382e+05", + "7.1776090e+04", + "2.3416894e+04", + "8.4541362e+03", + "3.2974267e+03", + "1.3673571e+03", + "5.9569868e+02", + "2.7015627e+02", + "1.2634431e+02", + "5.9844357e+01", + "2.7884575e+01", + "1.3448638e+01", + "6.2640057e+00", + "2.8879825e+00", + "1.2805832e+00", + "3.3094288e-01", + "1.6330035e-01", + "6.9795601e-02" + ], + "coefficients": [ + [ + "0.0000074", + "0.0000576", + "0.0003026", + "0.0012766", + "0.0046271", + "0.0148795", + "0.0427455", + "0.1077979", + "0.2253896", + "0.3459585", + "0.3037730", + "0.0977748", + "0.0038668", + "0.0010804", + "-0.0005077", + "0.0001910", + "-0.0000942", + "0.0000384", + "-0.0000272", + "0.0000076" + ], + [ + "-0.0000023", + "-0.0000179", + "-0.0000942", + "-0.0003974", + "-0.0014472", + "-0.0046861", + "-0.0137783", + "-0.0363582", + "-0.0845547", + "-0.1594564", + "-0.2033591", + "-0.0227242", + "0.4606537", + "0.5554811", + "0.1373482", + "0.0019790", + "0.0021051", + "-0.0004743", + "0.0003298", + "-0.0000940" + ], + [ + "0.0000009", + "0.0000069", + "0.0000363", + "0.0001532", + "0.0005580", + "0.0018091", + "0.0053328", + "0.0141586", + "0.0333550", + "0.0647189", + "0.0869674", + "0.0107918", + "-0.2750374", + "-0.4996961", + "0.0170082", + "0.7235087", + "0.4759600", + "0.0267509", + "-0.0099925", + "0.0022647" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000093", + "-0.0000393", + "-0.0001431", + "-0.0004641", + "-0.0013676", + "-0.0036367", + "-0.0085749", + "-0.0167244", + "-0.0225861", + "-0.0029604", + "0.0753105", + "0.1438159", + "-0.0097315", + "-0.2723419", + "-0.3379505", + "0.3133085", + "0.6131848", + "0.2718115" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.6274668e+04", + "3.8542287e+03", + "1.2516782e+03", + "4.7827337e+02", + "2.0236579e+02", + "9.1873690e+01", + "4.3668162e+01", + "2.1432586e+01", + "1.0655646e+01", + "5.1301997e+00", + "2.4104961e+00", + "1.0970911e+00", + "3.7329560e-01", + "1.4486859e-01", + "5.4473331e-02" + ], + "coefficients": [ + [ + "0.0001047", + "0.0009258", + "0.0052560", + "0.0223558", + "0.0742945", + "0.1874435", + "0.3341529", + "0.3611221", + "0.1757882", + "0.0257233", + "0.0013961", + "0.0003933", + "0.0000046", + "0.0000002", + "-0.0000018" + ], + [ + "-0.0000402", + "-0.0003569", + "-0.0020325", + "-0.0087573", + "-0.0297620", + "-0.0784180", + "-0.1473367", + "-0.1651131", + "0.0297390", + "0.3761780", + "0.4881544", + "0.2281398", + "0.0172426", + "-0.0018370", + "0.0006509" + ], + [ + "0.0000079", + "0.0000708", + "0.0003994", + "0.0017389", + "0.0058684", + "0.0157036", + "0.0292643", + "0.0338593", + "-0.0112552", + "-0.0869721", + "-0.1322681", + "-0.0463704", + "0.2924974", + "0.5583940", + "0.2990622" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.2060305e+02", + "1.2624676e+02", + "4.8618565e+01", + "2.0862925e+01", + "9.5344391e+00", + "4.4320337e+00", + "2.0270443e+00", + "8.9422259e-01", + "3.5763427e-01" + ], + "coefficients": [ + [ + "0.0007837", + "0.0069684", + "0.0337599", + "0.1072812", + "0.2317340", + "0.3339577", + "0.3371281", + "0.2168552", + "0.0587902" + ] + ] + } + ] + }, + "33": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.5651317e+06", + "1.2825839e+06", + "2.9187862e+05", + "8.2663715e+04", + "2.6963078e+04", + "9.7321441e+03", + "3.7950700e+03", + "1.5734771e+03", + "6.8557579e+02", + "3.1121075e+02", + "1.4611716e+02", + "7.0149627e+01", + "3.1868215e+01", + "1.5429680e+01", + "7.3581606e+00", + "3.3255390e+00", + "1.4851235e+00", + "4.1721473e-01", + "2.0951145e-01", + "8.8489695e-02" + ], + "coefficients": [ + [ + "0.0000067", + "0.0000521", + "0.0002740", + "0.0011566", + "0.0041957", + "0.0135180", + "0.0389871", + "0.0991911", + "0.2110721", + "0.3358216", + "0.3166416", + "0.1196943", + "0.0082984", + "0.0002677", + "-0.0001236", + "0.0000114", + "-0.0000312", + "0.0000120", + "-0.0000078", + "0.0000022" + ], + [ + "-0.0000021", + "-0.0000163", + "-0.0000856", + "-0.0003611", + "-0.0013163", + "-0.0042652", + "-0.0125807", + "-0.0333467", + "-0.0784576", + "-0.1508386", + "-0.2043403", + "-0.0577971", + "0.4169827", + "0.5771445", + "0.1707565", + "0.0061718", + "0.0017403", + "-0.0003585", + "0.0002284", + "-0.0000656" + ], + [ + "0.0000008", + "0.0000063", + "0.0000333", + "0.0001406", + "0.0005131", + "0.0016629", + "0.0049221", + "0.0131042", + "0.0312585", + "0.0615737", + "0.0879818", + "0.0266745", + "-0.2441190", + "-0.5095956", + "-0.0573625", + "0.7089572", + "0.5234248", + "0.0346301", + "-0.0112899", + "0.0024264" + ], + [ + "-0.0000002", + "-0.0000017", + "-0.0000092", + "-0.0000387", + "-0.0001413", + "-0.0004582", + "-0.0013562", + "-0.0036149", + "-0.0086337", + "-0.0170826", + "-0.0245547", + "-0.0076202", + "0.0716017", + "0.1577280", + "0.0149162", + "-0.2856282", + "-0.3883914", + "0.2779286", + "0.6454888", + "0.2926509" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.7716933e+04", + "4.1948613e+03", + "1.3624465e+03", + "5.2085873e+02", + "2.2055499e+02", + "1.0023226e+02", + "4.7714099e+01", + "2.3467090e+01", + "1.1703786e+01", + "5.6676749e+00", + "2.6907121e+00", + "1.2474948e+00", + "4.5018036e-01", + "1.8069605e-01", + "6.9663040e-02" + ], + "coefficients": [ + [ + "0.0001012", + "0.0008956", + "0.0050886", + "0.0216794", + "0.0722869", + "0.1835440", + "0.3303781", + "0.3626873", + "0.1818063", + "0.0280560", + "0.0014322", + "0.0004107", + "-0.0000096", + "0.0000054", + "-0.0000030" + ], + [ + "-0.0000395", + "-0.0003505", + "-0.0019973", + "-0.0086181", + "-0.0293860", + "-0.0779080", + "-0.1478848", + "-0.1687025", + "0.0217290", + "0.3705903", + "0.4917132", + "0.2312183", + "0.0183323", + "-0.0017748", + "0.0005052" + ], + [ + "0.0000087", + "0.0000784", + "0.0004431", + "0.0019313", + "0.0065430", + "0.0176149", + "0.0332012", + "0.0390716", + "-0.0109471", + "-0.0979705", + "-0.1530916", + "-0.0530413", + "0.3216257", + "0.5601008", + "0.2694035" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.7926776e+02", + "1.4395181e+02", + "5.5550477e+01", + "2.3929454e+01", + "1.0988818e+01", + "5.1487210e+00", + "2.3832141e+00", + "1.0684251e+00", + "4.3278831e-01" + ], + "coefficients": [ + [ + "0.0007174", + "0.0064418", + "0.0317707", + "0.1027456", + "0.2271122", + "0.3348336", + "0.3418185", + "0.2145930", + "0.0540754" + ] + ] + } + ] + }, + "34": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.5272220e+06", + "1.4265106e+06", + "3.2453567e+05", + "9.1885397e+04", + "2.9959899e+04", + "1.0808862e+04", + "4.2129114e+03", + "1.7462539e+03", + "7.6108305e+02", + "3.4589400e+02", + "1.6283245e+02", + "7.8559081e+01", + "3.5363506e+01", + "1.7227960e+01", + "8.3380646e+00", + "3.7298682e+00", + "1.6850739e+00", + "5.0649917e-01", + "2.5379967e-01", + "1.0619782e-01" + ], + "coefficients": [ + [ + "0.0000063", + "0.0000492", + "0.0002588", + "0.0010928", + "0.0039677", + "0.0128030", + "0.0370191", + "0.0946151", + "0.2030790", + "0.3290863", + "0.3227822", + "0.1331418", + "0.0112574", + "-0.0002497", + "0.0001221", + "-0.0000991", + "0.0000122", + "-0.0000078", + "0.0000058", + "-0.0000013" + ], + [ + "-0.0000020", + "-0.0000154", + "-0.0000811", + "-0.0003421", + "-0.0012484", + "-0.0040494", + "-0.0119671", + "-0.0318031", + "-0.0752099", + "-0.1460489", + "-0.2039322", + "-0.0763655", + "0.3878389", + "0.5852983", + "0.1949909", + "0.0097184", + "0.0013463", + "-0.0002229", + "0.0001190", + "-0.0000400" + ], + [ + "0.0000008", + "0.0000061", + "0.0000319", + "0.0001346", + "0.0004918", + "0.0015946", + "0.0047313", + "0.0126181", + "0.0302684", + "0.0600951", + "0.0885502", + "0.0352797", + "-0.2259365", + "-0.5123318", + "-0.1042874", + "0.6949890", + "0.5535482", + "0.0405625", + "-0.0113889", + "0.0024434" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000093", + "-0.0000394", + "-0.0001438", + "-0.0004664", + "-0.0013837", + "-0.0036951", + "-0.0088732", + "-0.0177000", + "-0.0262274", + "-0.0106833", + "0.0703862", + "0.1683970", + "0.0333283", + "-0.2991056", + "-0.4309889", + "0.2691081", + "0.6727958", + "0.2929984" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.8841530e+04", + "4.4621928e+03", + "1.4491146e+03", + "5.5369408e+02", + "2.3428261e+02", + "1.0638915e+02", + "5.0616325e+01", + "2.4888628e+01", + "1.2408559e+01", + "6.0245685e+00", + "2.8810551e+00", + "1.3574593e+00", + "5.1735620e-01", + "2.0680968e-01", + "7.8719188e-02" + ], + "coefficients": [ + [ + "0.0001015", + "0.0008981", + "0.0051072", + "0.0218044", + "0.0728573", + "0.1851902", + "0.3327651", + "0.3621639", + "0.1783395", + "0.0267889", + "0.0014265", + "0.0003352", + "-0.0000040", + "-0.0000051", + "-0.0000026" + ], + [ + "-0.0000402", + "-0.0003564", + "-0.0020339", + "-0.0087922", + "-0.0300665", + "-0.0798083", + "-0.1515119", + "-0.1704176", + "0.0283201", + "0.3810673", + "0.4902217", + "0.2166542", + "0.0167376", + "-0.0007186", + "0.0004657" + ], + [ + "0.0000097", + "0.0000865", + "0.0004897", + "0.0021386", + "0.0072681", + "0.0195958", + "0.0369659", + "0.0428829", + "-0.0141974", + "-0.1104920", + "-0.1714293", + "-0.0427057", + "0.3564810", + "0.5473822", + "0.2532309" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.3981730e+02", + "1.6223827e+02", + "6.2704225e+01", + "2.7096724e+01", + "1.2492626e+01", + "5.8911851e+00", + "2.7538584e+00", + "1.2507583e+00", + "5.1191776e-01" + ], + "coefficients": [ + [ + "0.0006663", + "0.0060317", + "0.0302019", + "0.0991632", + "0.2234158", + "0.3356813", + "0.3456885", + "0.2123449", + "0.0501683" + ] + ] + } + ] + }, + "35": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.0789920e+07", + "1.6157361e+06", + "3.6767869e+05", + "1.0414678e+05", + "3.3979893e+04", + "1.2266863e+04", + "4.7834875e+03", + "1.9833744e+03", + "8.6459644e+02", + "3.9300403e+02", + "1.8511421e+02", + "8.9349687e+01", + "3.9563136e+01", + "1.9381419e+01", + "9.4814407e+00", + "4.1784767e+00", + "1.9061843e+00", + "6.0650417e-01", + "3.0303735e-01", + "1.2570869e-01" + ], + "coefficients": [ + [ + "0.0000058", + "0.0000453", + "0.0002381", + "0.0010048", + "0.0036460", + "0.0117708", + "0.0341174", + "0.0877780", + "0.1911166", + "0.3189971", + "0.3317287", + "0.1533166", + "0.0158642", + "-0.0010947", + "0.0005212", + "-0.0002758", + "0.0000897", + "-0.0000447", + "0.0000290", + "-0.0000068" + ], + [ + "-0.0000018", + "-0.0000142", + "-0.0000748", + "-0.0003154", + "-0.0011503", + "-0.0037301", + "-0.0110407", + "-0.0294447", + "-0.0702677", + "-0.1388529", + "-0.2028156", + "-0.1002229", + "0.3500224", + "0.5937074", + "0.2259412", + "0.0143756", + "0.0007570", + "-0.0000105", + "-0.0000290", + "-0.0000075" + ], + [ + "0.0000007", + "0.0000056", + "0.0000297", + "0.0001253", + "0.0004578", + "0.0014830", + "0.0044094", + "0.0117876", + "0.0285449", + "0.0575081", + "0.0886208", + "0.0463519", + "-0.2019300", + "-0.5120029", + "-0.1577508", + "0.6762451", + "0.5856026", + "0.0475912", + "-0.0114798", + "0.0024893" + ], + [ + "-0.0000002", + "-0.0000017", + "-0.0000091", + "-0.0000384", + "-0.0001403", + "-0.0004547", + "-0.0013519", + "-0.0036182", + "-0.0087722", + "-0.0177504", + "-0.0275151", + "-0.0146552", + "0.0658589", + "0.1764134", + "0.0552854", + "-0.3057109", + "-0.4717455", + "0.2500108", + "0.6993405", + "0.3004030" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.9427349e+04", + "4.6020228e+03", + "1.4946586e+03", + "5.7110053e+02", + "2.4166463e+02", + "1.0974796e+02", + "5.2209957e+01", + "2.5667872e+01", + "1.2774278e+01", + "6.2138925e+00", + "2.9890652e+00", + "1.4250955e+00", + "5.7758742e-01", + "2.3352162e-01", + "8.9550980e-02" + ], + "coefficients": [ + [ + "0.0001071", + "0.0009469", + "0.0053784", + "0.0229175", + "0.0762427", + "0.1921197", + "0.3398454", + "0.3583472", + "0.1668198", + "0.0228564", + "0.0014291", + "0.0001776", + "0.0000256", + "-0.0000266", + "0.0000004" + ], + [ + "-0.0000429", + "-0.0003808", + "-0.0021724", + "-0.0093710", + "-0.0319595", + "-0.0841322", + "-0.1577079", + "-0.1693678", + "0.0478163", + "0.4032535", + "0.4831397", + "0.1891925", + "0.0134650", + "0.0004591", + "0.0003941" + ], + [ + "0.0000111", + "0.0000989", + "0.0005606", + "0.0024391", + "0.0082838", + "0.0221156", + "0.0413287", + "0.0454986", + "-0.0212786", + "-0.1273620", + "-0.1868374", + "-0.0213513", + "0.3877266", + "0.5341185", + "0.2320180" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.0154601e+02", + "1.8089393e+02", + "7.0001891e+01", + "3.0332280e+01", + "1.4031632e+01", + "6.6524441e+00", + "3.1353718e+00", + "1.4390345e+00", + "5.9328107e-01" + ], + "coefficients": [ + [ + "0.0006276", + "0.0057180", + "0.0289904", + "0.0964078", + "0.2206091", + "0.3366220", + "0.3488291", + "0.2098337", + "0.0469243" + ] + ] + } + ] + }, + "36": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.1707591e+07", + "1.7530660e+06", + "3.9894461e+05", + "1.1299920e+05", + "3.6864908e+04", + "1.3308700e+04", + "5.1908150e+03", + "2.1530297e+03", + "9.3903602e+02", + "4.2714550e+02", + "2.0138050e+02", + "9.7253536e+01", + "4.3055680e+01", + "2.1209810e+01", + "1.0445680e+01", + "4.5907630e+00", + "2.1202840e+00", + "7.0817700e-01", + "3.5037800e-01", + "1.4518900e-01" + ], + "coefficients": [ + [ + "0.0000056", + "0.0000439", + "0.0002308", + "0.0009741", + "0.0035354", + "0.0114161", + "0.0331093", + "0.0853396", + "0.1866453", + "0.3146619", + "0.3344405", + "0.1613657", + "0.0179759", + "-0.0014023", + "0.0006683", + "-0.0003436", + "0.0001234", + "-0.0000601", + "0.0000374", + "-0.0000087" + ], + [ + "-0.0000018", + "-0.0000138", + "-0.0000727", + "-0.0003066", + "-0.0011182", + "-0.0036268", + "-0.0107357", + "-0.0286620", + "-0.0685593", + "-0.1363202", + "-0.2021452", + "-0.1095727", + "0.3307738", + "0.5948699", + "0.2434528", + "0.0173972", + "0.0003447", + "0.0001214", + "-0.0001216", + "0.0000104" + ], + [ + "0.0000007", + "0.0000055", + "0.0000292", + "0.0001229", + "0.0004493", + "0.0014556", + "0.0043289", + "0.0115812", + "0.0281140", + "0.0569476", + "0.0890833", + "0.0510691", + "-0.1913381", + "-0.5117319", + "-0.1872205", + "0.6643073", + "0.6035601", + "0.0525755", + "-0.0107816", + "0.0024487" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000093", + "-0.0000392", + "-0.0001431", + "-0.0004639", + "-0.0013792", + "-0.0036954", + "-0.0089782", + "-0.0182752", + "-0.0287395", + "-0.0168071", + "0.0649794", + "0.1832959", + "0.0697892", + "-0.3149039", + "-0.5036122", + "0.2460656", + "0.7176460", + "0.3007860" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.0288003e+04", + "4.8044380e+03", + "1.5600440e+03", + "5.9601679e+02", + "2.5221070e+02", + "1.1453100e+02", + "5.4473227e+01", + "2.6767730e+01", + "1.3294320e+01", + "6.4650530e+00", + "3.1176790e+00", + "1.4886490e+00", + "6.3560500e-01", + "2.6124400e-01", + "1.0160800e-01" + ], + "coefficients": [ + [ + "0.0001102", + "0.0009747", + "0.0055358", + "0.0235727", + "0.0782660", + "0.1963813", + "0.3443702", + "0.3559750", + "0.1596144", + "0.0203466", + "0.0014078", + "0.0000566", + "0.0000603", + "-0.0000302", + "0.0000081" + ], + [ + "-0.0000448", + "-0.0003971", + "-0.0022668", + "-0.0097711", + "-0.0332934", + "-0.0873100", + "-0.1625901", + "-0.1692333", + "0.0623720", + "0.4225261", + "0.4784363", + "0.1657695", + "0.0096580", + "0.0005008", + "-0.0000366" + ], + [ + "0.0000121", + "0.0001082", + "0.0006150", + "0.0026694", + "0.0090775", + "0.0240984", + "0.0449062", + "0.0475537", + "-0.0271154", + "-0.1431523", + "-0.1990515", + "0.0031580", + "0.4128424", + "0.5203862", + "0.2118899" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.6548530e+02", + "2.0021573e+02", + "7.7557880e+01", + "3.3683689e+01", + "1.5627280e+01", + "7.4430590e+00", + "3.5330890e+00", + "1.6359300e+00", + "6.7822592e-01" + ], + "coefficients": [ + [ + "0.0005956", + "0.0054574", + "0.0279723", + "0.0940940", + "0.2182380", + "0.3374701", + "0.3514810", + "0.2075156", + "0.0443415" + ] + ] + } + ] + }, + "37": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.3591423e+07", + "2.0352676e+06", + "4.6314603e+05", + "1.3117932e+05", + "4.2797662e+04", + "1.5452750e+04", + "6.0288347e+03", + "2.5015286e+03", + "1.0914000e+03", + "4.9647453e+02", + "2.3386407e+02", + "1.1250044e+02", + "4.9645467e+01", + "2.4791664e+01", + "1.2344228e+01", + "5.3693077e+00", + "2.5457624e+00", + "1.0198434e+00", + "5.0555428e-01", + "2.1473447e-01", + "3.1944034e-02", + "1.4118925e-02" + ], + "coefficients": [ + [ + "0.0000050", + "0.0000390", + "0.0002052", + "0.0008662", + "0.0031452", + "0.0101671", + "0.0295786", + "0.0768359", + "0.1710469", + "0.2993153", + "0.3431988", + "0.1896659", + "0.0262806", + "-0.0024968", + "0.0012422", + "-0.0006256", + "0.0002981", + "-0.0001643", + "0.0000937", + "-0.0000258", + "0.0000057", + "-0.0000029" + ], + [ + "-0.0000016", + "-0.0000123", + "-0.0000648", + "-0.0002733", + "-0.0009969", + "-0.0032358", + "-0.0095896", + "-0.0257284", + "-0.0621445", + "-0.1265581", + "-0.1978587", + "-0.1382768", + "0.2625802", + "0.5930224", + "0.3049544", + "0.0296675", + "-0.0013608", + "0.0009753", + "-0.0005664", + "0.0001224", + "-0.0000294", + "0.0000151" + ], + [ + "0.0000006", + "0.0000050", + "0.0000263", + "0.0001106", + "0.0004043", + "0.0013104", + "0.0039023", + "0.0104832", + "0.0256864", + "0.0531590", + "0.0874515", + "0.0645418", + "-0.1484089", + "-0.4890940", + "-0.2814493", + "0.5780253", + "0.6731180", + "0.0894223", + "-0.0093641", + "0.0027024", + "-0.0003812", + "0.0001891" + ], + [ + "-0.0000002", + "-0.0000017", + "-0.0000089", + "-0.0000374", + "-0.0001367", + "-0.0004425", + "-0.0013201", + "-0.0035423", + "-0.0087139", + "-0.0180424", + "-0.0300170", + "-0.0222171", + "0.0526498", + "0.1865963", + "0.1095920", + "-0.2788813", + "-0.5703965", + "0.0294302", + "0.7876389", + "0.4260748", + "0.0081094", + "-0.0026215" + ], + [ + "0.0000000", + "0.0000004", + "0.0000019", + "0.0000079", + "0.0000288", + "0.0000931", + "0.0002786", + "0.0007447", + "0.0018415", + "0.0037893", + "0.0063694", + "0.0046144", + "-0.0109556", + "-0.0402918", + "-0.0226498", + "0.0594253", + "0.1380341", + "-0.0246363", + "-0.2027509", + "-0.2963825", + "0.7585597", + "0.3819175" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.2624456e+04", + "5.3582733e+03", + "1.7404133e+03", + "6.6540728e+02", + "2.8194910e+02", + "1.2830513e+02", + "6.1219750e+01", + "3.0210684e+01", + "1.5119303e+01", + "7.4076682e+00", + "3.6114247e+00", + "1.7523502e+00", + "7.6534569e-01", + "3.2789693e-01", + "1.3327314e-01" + ], + "coefficients": [ + [ + "0.0001008", + "0.0008919", + "0.0050754", + "0.0216943", + "0.0725634", + "0.1848044", + "0.3327797", + "0.3617669", + "0.1780669", + "0.0267834", + "0.0013620", + "0.0002262", + "0.0000026", + "-0.0000082", + "0.0000021" + ], + [ + "-0.0000415", + "-0.0003679", + "-0.0021028", + "-0.0090981", + "-0.0311833", + "-0.0829689", + "-0.1583745", + "-0.1767537", + "0.0324220", + "0.3973709", + "0.4927307", + "0.1916036", + "0.0140152", + "0.0002419", + "0.0000061" + ], + [ + "0.0000123", + "0.0001102", + "0.0006269", + "0.0027308", + "0.0093419", + "0.0251627", + "0.0480838", + "0.0547306", + "-0.0195905", + "-0.1493495", + "-0.2247437", + "-0.0209805", + "0.4255511", + "0.5409929", + "0.1807625" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.4498136e+02", + "2.2425464e+02", + "8.6968560e+01", + "3.7874077e+01", + "1.7632512e+01", + "8.4474887e+00", + "4.0445594e+00", + "1.8953710e+00", + "8.0344988e-01" + ], + "coefficients": [ + [ + "0.0005473", + "0.0050489", + "0.0262355", + "0.0895901", + "0.2119134", + "0.3348361", + "0.3549093", + "0.2115747", + "0.0453909" + ] + ] + } + ] + }, + "38": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.5985548e+07", + "2.3931854e+06", + "5.4464467e+05", + "1.5429021e+05", + "5.0349120e+04", + "1.8184310e+04", + "7.0970993e+03", + "2.9464767e+03", + "1.2864437e+03", + "5.8542665e+02", + "2.7553817e+02", + "1.3219018e+02", + "5.9580137e+01", + "3.0224580e+01", + "1.5159831e+01", + "6.7795650e+00", + "3.4176689e+00", + "1.7071294e+00", + "6.7914307e-01", + "2.9464669e-01", + "5.4229766e-02", + "2.2434427e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000341", + "0.0001791", + "0.0007562", + "0.0027467", + "0.0088878", + "0.0259399", + "0.0678946", + "0.1539202", + "0.2800538", + "0.3482337", + "0.2221070", + "0.0397570", + "-0.0031312", + "0.0018364", + "-0.0009927", + "0.0005701", + "-0.0002757", + "0.0001016", + "-0.0000345", + "0.0000085", + "-0.0000039" + ], + [ + "-0.0000014", + "-0.0000108", + "-0.0000567", + "-0.0002393", + "-0.0008720", + "-0.0028343", + "-0.0084032", + "-0.0226675", + "-0.0552254", + "-0.1154524", + "-0.1900663", + "-0.1662726", + "0.1669298", + "0.5683835", + "0.3953840", + "0.0573871", + "-0.0040984", + "0.0023088", + "-0.0007645", + "0.0002054", + "-0.0000544", + "0.0000248" + ], + [ + "0.0000006", + "0.0000044", + "0.0000232", + "0.0000977", + "0.0003567", + "0.0011583", + "0.0034477", + "0.0093163", + "0.0229771", + "0.0487849", + "0.0840145", + "0.0778191", + "-0.0913807", + "-0.4360451", + "-0.4010570", + "0.3680141", + "0.7341599", + "0.2276660", + "0.0093846", + "0.0000215", + "0.0001555", + "-0.0000678" + ], + [ + "-0.0000002", + "-0.0000016", + "-0.0000082", + "-0.0000347", + "-0.0001271", + "-0.0004112", + "-0.0012295", + "-0.0033078", + "-0.0082215", + "-0.0173733", + "-0.0304562", + "-0.0278971", + "0.0329246", + "0.1756413", + "0.1618494", + "-0.1675942", + "-0.5752128", + "-0.2242609", + "0.7628439", + "0.5567488", + "0.0153028", + "-0.0046814" + ], + [ + "0.0000001", + "0.0000004", + "0.0000021", + "0.0000089", + "0.0000328", + "0.0001060", + "0.0003173", + "0.0008523", + "0.0021231", + "0.0044768", + "0.0078832", + "0.0071779", + "-0.0084430", + "-0.0461655", + "-0.0421611", + "0.0437680", + "0.1677966", + "0.0623517", + "-0.2727483", + "-0.3839237", + "0.6964541", + "0.4886764" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.5229367e+04", + "5.9740406e+03", + "1.9402378e+03", + "7.4185179e+02", + "3.1435629e+02", + "1.4308897e+02", + "6.8345426e+01", + "3.3784356e+01", + "1.6971216e+01", + "8.3437696e+00", + "4.0925275e+00", + "2.0030386e+00", + "8.8934060e-01", + "3.9188734e-01", + "1.6068572e-01" + ], + "coefficients": [ + [ + "0.0000919", + "0.0008145", + "0.0046471", + "0.0199679", + "0.0674374", + "0.1746004", + "0.3225805", + "0.3664320", + "0.1943921", + "0.0329443", + "0.0013493", + "0.0003791", + "-0.0000578", + "0.0000158", + "-0.0000039" + ], + [ + "-0.0000383", + "-0.0003399", + "-0.0019469", + "-0.0084666", + "-0.0292614", + "-0.0791115", + "-0.1547277", + "-0.1827821", + "0.0084625", + "0.3779436", + "0.5038393", + "0.2101864", + "0.0172331", + "0.0000719", + "-0.0000088" + ], + [ + "0.0000123", + "0.0001095", + "0.0006241", + "0.0027327", + "0.0094264", + "0.0258029", + "0.0505372", + "0.0609935", + "-0.0123213", + "-0.1543159", + "-0.2477189", + "-0.0383578", + "0.4447400", + "0.5522495", + "0.1551008" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.2851015e+02", + "2.4952736e+02", + "9.6860307e+01", + "4.2280922e+01", + "1.9742789e+01", + "9.5061705e+00", + "4.5852401e+00", + "2.1713036e+00", + "9.3883631e-01" + ], + "coefficients": [ + [ + "0.0005068", + "0.0047034", + "0.0247393", + "0.0856576", + "0.2062196", + "0.3322954", + "0.3579443", + "0.2153572", + "0.0463035" + ] + ] + } + ] + }, + "39": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.7240879e+07", + "2.5809635e+06", + "5.8702322e+05", + "1.6617815e+05", + "5.4193105e+04", + "1.9562755e+04", + "7.6314315e+03", + "3.1666636e+03", + "1.3819307e+03", + "6.2862879e+02", + "2.9573978e+02", + "1.4182739e+02", + "6.4184567e+01", + "3.2609865e+01", + "1.6362525e+01", + "7.3497438e+00", + "3.7358389e+00", + "1.8751344e+00", + "7.6915955e-01", + "3.3761751e-01", + "6.5178353e-02", + "2.6263236e-02" + ], + "coefficients": [ + [ + "0.0000043", + "0.0000331", + "0.0001742", + "0.0007361", + "0.0026761", + "0.0086666", + "0.0253290", + "0.0664392", + "0.1511769", + "0.2769021", + "0.3487249", + "0.2272836", + "0.0422753", + "-0.0031629", + "0.0019138", + "-0.0010516", + "0.0006165", + "-0.0003032", + "0.0001148", + "-0.0000385", + "0.0000092", + "-0.0000040" + ], + [ + "-0.0000013", + "-0.0000105", + "-0.0000553", + "-0.0002335", + "-0.0008515", + "-0.0027700", + "-0.0082203", + "-0.0222150", + "-0.0542458", + "-0.1139573", + "-0.1891674", + "-0.1704250", + "0.1538027", + "0.5641642", + "0.4075678", + "0.0619491", + "-0.0045870", + "0.0025402", + "-0.0008683", + "0.0002312", + "-0.0000593", + "0.0000259" + ], + [ + "0.0000006", + "0.0000043", + "0.0000228", + "0.0000962", + "0.0003512", + "0.0011415", + "0.0034004", + "0.0092063", + "0.0227518", + "0.0485434", + "0.0842438", + "0.0804142", + "-0.0846698", + "-0.4330528", + "-0.4179107", + "0.3489209", + "0.7450441", + "0.2372280", + "0.0101341", + "0.0001497", + "0.0001430", + "-0.0000585" + ], + [ + "-0.0000002", + "-0.0000016", + "-0.0000084", + "-0.0000353", + "-0.0001294", + "-0.0004194", + "-0.0012545", + "-0.0033827", + "-0.0084218", + "-0.0178940", + "-0.0315914", + "-0.0298869", + "0.0315683", + "0.1806001", + "0.1759372", + "-0.1649223", + "-0.6080663", + "-0.2390164", + "0.7811067", + "0.5586268", + "0.0164684", + "-0.0046556" + ], + [ + "0.0000001", + "0.0000004", + "0.0000022", + "0.0000094", + "0.0000343", + "0.0001113", + "0.0003329", + "0.0008976", + "0.0022359", + "0.0047513", + "0.0083996", + "0.0079531", + "-0.0084236", + "-0.0486801", + "-0.0477170", + "0.0453738", + "0.1818850", + "0.0722829", + "-0.3010103", + "-0.3832091", + "0.6772449", + "0.5150387" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.6800607e+04", + "6.3473099e+03", + "2.0617740e+03", + "7.8850106e+02", + "3.3426555e+02", + "1.5224880e+02", + "7.2793738e+01", + "3.6032592e+01", + "1.8132409e+01", + "8.9417922e+00", + "4.4106478e+00", + "2.1728163e+00", + "9.8711008e-01", + "4.4122297e-01", + "1.8117128e-01" + ], + "coefficients": [ + [ + "0.0000910", + "0.0008062", + "0.0046009", + "0.0197821", + "0.0668797", + "0.1734790", + "0.3213916", + "0.3665908", + "0.1961055", + "0.0337196", + "0.0013267", + "0.0003749", + "-0.0000700", + "0.0000159", + "-0.0000051" + ], + [ + "-0.0000383", + "-0.0003401", + "-0.0019487", + "-0.0084796", + "-0.0293406", + "-0.0794835", + "-0.1559766", + "-0.1850271", + "0.0065297", + "0.3793956", + "0.5059141", + "0.2069817", + "0.0166411", + "0.0003044", + "-0.0000350" + ], + [ + "0.0000128", + "0.0001146", + "0.0006539", + "0.0028635", + "0.0098971", + "0.0271322", + "0.0533953", + "0.0646085", + "-0.0123713", + "-0.1642146", + "-0.2636783", + "-0.0322776", + "0.4676366", + "0.5434597", + "0.1409936" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.6500292e+02", + "2.9085451e+02", + "1.1306106e+02", + "4.9550808e+01", + "2.3250887e+01", + "1.1298295e+01", + "5.5227246e+00", + "2.6790916e+00", + "1.2366727e+00", + "5.0568625e-01", + "1.9429665e-01", + "6.8666438e-02" + ], + "coefficients": [ + [ + "0.0004220", + "0.0039559", + "0.0212633", + "0.0755527", + "0.1887203", + "0.3182985", + "0.3611281", + "0.2353514", + "0.0609605", + "0.0026872", + "0.0002603", + "-0.0000405" + ], + [ + "-0.0000910", + "-0.0008601", + "-0.0046166", + "-0.0166149", + "-0.0416918", + "-0.0694425", + "-0.0726266", + "-0.0159968", + "0.1734347", + "0.4007613", + "0.4495282", + "0.2271120" + ] + ] + } + ] + }, + "40": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.8079256e+07", + "2.7066830e+06", + "6.1629791e+05", + "1.7461932e+05", + "5.6992652e+04", + "2.0585958e+04", + "8.0345424e+03", + "3.3355317e+03", + "1.4561797e+03", + "6.6254304e+02", + "3.1172936e+02", + "1.4953217e+02", + "6.7736190e+01", + "3.4438308e+01", + "1.7286459e+01", + "7.7547931e+00", + "3.9505259e+00", + "1.9717829e+00", + "8.4828858e-01", + "3.7395040e-01", + "7.3200095e-02", + "2.8873769e-02" + ], + "coefficients": [ + [ + "0.0000043", + "0.0000332", + "0.0001746", + "0.0007368", + "0.0026759", + "0.0086609", + "0.0252979", + "0.0663294", + "0.1509403", + "0.2766495", + "0.3487694", + "0.2276465", + "0.0424391", + "-0.0031699", + "0.0019096", + "-0.0010587", + "0.0006296", + "-0.0003190", + "0.0001273", + "-0.0000410", + "0.0000094", + "-0.0000040" + ], + [ + "-0.0000014", + "-0.0000106", + "-0.0000555", + "-0.0002342", + "-0.0008534", + "-0.0027744", + "-0.0082287", + "-0.0222290", + "-0.0542845", + "-0.1141194", + "-0.1895980", + "-0.1710671", + "0.1540202", + "0.5649475", + "0.4075346", + "0.0616272", + "-0.0048952", + "0.0026401", + "-0.0009674", + "0.0002480", + "-0.0000609", + "0.0000259" + ], + [ + "0.0000006", + "0.0000044", + "0.0000231", + "0.0000972", + "0.0003547", + "0.0011523", + "0.0034307", + "0.0092845", + "0.0229493", + "0.0490041", + "0.0851429", + "0.0814323", + "-0.0857449", + "-0.4388168", + "-0.4210873", + "0.3628469", + "0.7523305", + "0.2221531", + "0.0083212", + "0.0006568", + "0.0000585", + "-0.0000212" + ], + [ + "-0.0000002", + "-0.0000017", + "-0.0000087", + "-0.0000367", + "-0.0001342", + "-0.0004347", + "-0.0012993", + "-0.0035041", + "-0.0087196", + "-0.0185611", + "-0.0327704", + "-0.0311631", + "0.0330586", + "0.1880810", + "0.1838446", + "-0.1804060", + "-0.6479274", + "-0.2164857", + "0.8060225", + "0.5463077", + "0.0159890", + "-0.0043581" + ], + [ + "0.0000001", + "0.0000004", + "0.0000023", + "0.0000097", + "0.0000356", + "0.0001153", + "0.0003444", + "0.0009295", + "0.0023115", + "0.0049286", + "0.0086962", + "0.0083122", + "-0.0088844", + "-0.0505553", + "-0.0502137", + "0.0505227", + "0.1939809", + "0.0668407", + "-0.3193870", + "-0.3680449", + "0.6642417", + "0.5274896" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.9117555e+04", + "6.8948734e+03", + "2.2391278e+03", + "8.5613861e+02", + "3.6288546e+02", + "1.6529388e+02", + "7.9073010e+01", + "3.9173637e+01", + "1.9746296e+01", + "9.7584383e+00", + "4.8346489e+00", + "2.3958152e+00", + "1.1017333e+00", + "4.9575782e-01", + "2.0405572e-01" + ], + "coefficients": [ + [ + "0.0000864", + "0.0007662", + "0.0043812", + "0.0189031", + "0.0642670", + "0.1682228", + "0.3159818", + "0.3685716", + "0.2045590", + "0.0371855", + "0.0013269", + "0.0004467", + "-0.0001102", + "0.0000261", + "-0.0000093" + ], + [ + "-0.0000367", + "-0.0003266", + "-0.0018742", + "-0.0081831", + "-0.0284571", + "-0.0777776", + "-0.1546968", + "-0.1885957", + "-0.0051449", + "0.3711844", + "0.5118831", + "0.2135071", + "0.0177606", + "0.0003921", + "-0.0000135" + ], + [ + "0.0000127", + "0.0001138", + "0.0006508", + "0.0028595", + "0.0099342", + "0.0274783", + "0.0548323", + "0.0682298", + "-0.0082797", + "-0.1678086", + "-0.2779655", + "-0.0361084", + "0.4790992", + "0.5404671", + "0.1369073" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.0137636e+03", + "3.0559140e+02", + "1.1880362e+02", + "5.2081177e+01", + "2.4452496e+01", + "1.1883780e+01", + "5.8132403e+00", + "2.8196568e+00", + "1.2897970e+00", + "5.5441574e-01", + "2.2596856e-01", + "8.4433235e-02" + ], + "coefficients": [ + [ + "0.0004374", + "0.0041018", + "0.0220467", + "0.0782983", + "0.1946759", + "0.3255892", + "0.3624187", + "0.2235104", + "0.0508938", + "0.0013047", + "0.0005328", + "-0.0001004" + ], + [ + "-0.0001073", + "-0.0010054", + "-0.0054443", + "-0.0194410", + "-0.0490325", + "-0.0797596", + "-0.0832510", + "-0.0015052", + "0.2150224", + "0.4209764", + "0.4125829", + "0.1745148" + ] + ] + } + ] + }, + "41": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.7645889e+07", + "2.6424671e+06", + "6.0170035e+05", + "1.7057610e+05", + "5.5692148e+04", + "2.0119726e+04", + "7.8534158e+03", + "3.2612546e+03", + "1.4253988e+03", + "6.5029750e+02", + "3.0734076e+02", + "1.4830282e+02", + "6.6948245e+01", + "3.3997695e+01", + "1.7118754e+01", + "7.6542389e+00", + "3.8463801e+00", + "1.8047345e+00", + "8.6700335e-01", + "3.8018301e-01", + "7.7677453e-02", + "3.0645170e-02" + ], + "coefficients": [ + [ + "0.0000047", + "0.0000364", + "0.0001913", + "0.0008068", + "0.0029282", + "0.0094675", + "0.0275854", + "0.0718815", + "0.1612439", + "0.2875135", + "0.3452200", + "0.2088693", + "0.0344634", + "-0.0028805", + "0.0015861", + "-0.0008684", + "0.0004925", + "-0.0002683", + "0.0001291", + "-0.0000379", + "0.0000086", + "-0.0000036" + ], + [ + "-0.0000015", + "-0.0000116", + "-0.0000610", + "-0.0002570", + "-0.0009362", + "-0.0030407", + "-0.0090097", + "-0.0242330", + "-0.0586652", + "-0.1209711", + "-0.1943620", + "-0.1572089", + "0.2007409", + "0.5784402", + "0.3655098", + "0.0471850", + "-0.0035836", + "0.0019556", + "-0.0009146", + "0.0002137", + "-0.0000547", + "0.0000191" + ], + [ + "0.0000006", + "0.0000048", + "0.0000255", + "0.0001074", + "0.0003920", + "0.0012721", + "0.0037846", + "0.0101998", + "0.0250168", + "0.0524599", + "0.0884148", + "0.0759019", + "-0.1156747", + "-0.4719855", + "-0.3753940", + "0.4688978", + "0.7364961", + "0.1506899", + "-0.0012813", + "0.0020843", + "-0.0002130", + "0.0000716" + ], + [ + "-0.0000002", + "-0.0000019", + "-0.0000098", + "-0.0000412", + "-0.0001507", + "-0.0004883", + "-0.0014556", + "-0.0039184", + "-0.0096511", + "-0.0202495", + "-0.0345410", + "-0.0297756", + "0.0466132", + "0.2059481", + "0.1705771", + "-0.2574140", + "-0.6974249", + "-0.0722401", + "0.8441758", + "0.4775932", + "0.0112898", + "-0.0060054" + ], + [ + "0.0000001", + "0.0000005", + "0.0000025", + "0.0000106", + "0.0000388", + "0.0001259", + "0.0003746", + "0.0010106", + "0.0024838", + "0.0052309", + "0.0088920", + "0.0077573", + "-0.0122607", + "-0.0536637", + "-0.0458511", + "0.0717265", + "0.2034988", + "0.0226272", + "-0.3418553", + "-0.3181128", + "0.6468727", + "0.5402727" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.9414795e+04", + "6.9651459e+03", + "2.2621674e+03", + "8.6532558e+02", + "3.6710468e+02", + "1.6740818e+02", + "8.0195688e+01", + "3.9804018e+01", + "2.0085812e+01", + "9.9549514e+00", + "4.9577227e+00", + "2.4607295e+00", + "1.1583033e+00", + "5.2197733e-01", + "2.1414891e-01" + ], + "coefficients": [ + [ + "0.0000929", + "0.0008238", + "0.0047018", + "0.0202021", + "0.0681662", + "0.1761298", + "0.3239681", + "0.3647163", + "0.1917484", + "0.0321525", + "0.0012254", + "0.0002869", + "-0.0000712", + "0.0000020", + "-0.0000062" + ], + [ + "-0.0000399", + "-0.0003544", + "-0.0020315", + "-0.0088346", + "-0.0305372", + "-0.0824637", + "-0.1609861", + "-0.1873921", + "0.0144072", + "0.3942824", + "0.5051957", + "0.1891550", + "0.0133696", + "0.0009059", + "-0.0000311" + ], + [ + "0.0000141", + "0.0001258", + "0.0007193", + "0.0031441", + "0.0108753", + "0.0296869", + "0.0583019", + "0.0688960", + "-0.0167817", + "-0.1845522", + "-0.2847854", + "0.0004288", + "0.5017396", + "0.5132940", + "0.1292689" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.0106797e+03", + "3.0466078e+02", + "1.1837803e+02", + "5.1785158e+01", + "2.4247686e+01", + "1.1719929e+01", + "5.7056657e+00", + "2.7491874e+00", + "1.2229055e+00", + "5.1911332e-01", + "2.0729325e-01", + "7.6350240e-02" + ], + "coefficients": [ + [ + "0.0005054", + "0.0047188", + "0.0251038", + "0.0880785", + "0.2136232", + "0.3441819", + "0.3583561", + "0.1913367", + "0.0330557", + "0.0000323", + "0.0004921", + "-0.0000985" + ], + [ + "-0.0001245", + "-0.0011550", + "-0.0062229", + "-0.0218770", + "-0.0540797", + "-0.0835368", + "-0.0809514", + "0.0319593", + "0.2650829", + "0.4184820", + "0.3774031", + "0.1641893" + ] + ] + } + ] + }, + "42": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.8435659e+07", + "2.7608035e+06", + "6.2872428e+05", + "1.7829947e+05", + "5.8266229e+04", + "2.1088040e+04", + "8.2532743e+03", + "3.4377952e+03", + "1.5070362e+03", + "6.8913864e+02", + "3.2610987e+02", + "1.5738867e+02", + "7.1090573e+01", + "3.6152330e+01", + "1.8210269e+01", + "8.1536922e+00", + "4.1187752e+00", + "1.9292291e+00", + "9.3776122e-01", + "4.1221189e-01", + "8.4850416e-02", + "3.2709483e-02" + ], + "coefficients": [ + [ + "0.0000047", + "0.0000366", + "0.0001924", + "0.0008105", + "0.0029363", + "0.0094616", + "0.0274562", + "0.0712816", + "0.1596207", + "0.2852431", + "0.3452963", + "0.2120836", + "0.0357989", + "-0.0030121", + "0.0016645", + "-0.0009168", + "0.0005254", + "-0.0002868", + "0.0001395", + "-0.0000405", + "0.0000090", + "-0.0000037" + ], + [ + "-0.0000015", + "-0.0000117", + "-0.0000614", + "-0.0002587", + "-0.0009407", + "-0.0030452", + "-0.0089857", + "-0.0240765", + "-0.0581512", + "-0.1200127", + "-0.1938928", + "-0.1599895", + "0.1941342", + "0.5773874", + "0.3715732", + "0.0488169", + "-0.0038634", + "0.0020356", + "-0.0009664", + "0.0002245", + "-0.0000569", + "0.0000179" + ], + [ + "0.0000006", + "0.0000049", + "0.0000259", + "0.0001089", + "0.0003966", + "0.0012828", + "0.0038008", + "0.0102042", + "0.0249704", + "0.0524014", + "0.0887954", + "0.0777891", + "-0.1126540", + "-0.4733676", + "-0.3854956", + "0.4678125", + "0.7424765", + "0.1502653", + "-0.0017897", + "0.0022306", + "-0.0002242", + "0.0000791" + ], + [ + "-0.0000002", + "-0.0000019", + "-0.0000101", + "-0.0000426", + "-0.0001552", + "-0.0005016", + "-0.0014887", + "-0.0039934", + "-0.0098097", + "-0.0206101", + "-0.0353218", + "-0.0311426", + "0.0463873", + "0.2104789", + "0.1799412", + "-0.2654303", + "-0.7227584", + "-0.0516863", + "0.8535707", + "0.4660491", + "0.0104686", + "-0.0060339" + ], + [ + "0.0000001", + "0.0000005", + "0.0000026", + "0.0000109", + "0.0000397", + "0.0001284", + "0.0003803", + "0.0010230", + "0.0025056", + "0.0052891", + "0.0090218", + "0.0080720", + "-0.0121656", + "-0.0543989", + "-0.0482713", + "0.0741513", + "0.2094191", + "0.0175788", + "-0.3527864", + "-0.3000559", + "0.6341094", + "0.5505146" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.2079536e+04", + "7.5979414e+03", + "2.4687078e+03", + "9.4457435e+02", + "4.0059023e+02", + "1.8249651e+02", + "8.7304541e+01", + "4.3268495e+01", + "2.1822943e+01", + "1.0810892e+01", + "5.3946421e+00", + "2.6859031e+00", + "1.2726028e+00", + "5.7494207e-01", + "2.3641713e-01" + ], + "coefficients": [ + [ + "0.0000873", + "0.0007733", + "0.0044175", + "0.0190512", + "0.0648024", + "0.1697784", + "0.3184750", + "0.3683345", + "0.2010769", + "0.0354611", + "0.0011861", + "0.0003571", + "-0.0001135", + "0.0000117", + "-0.0000103" + ], + [ + "-0.0000378", + "-0.0003357", + "-0.0019250", + "-0.0084024", + "-0.0292512", + "-0.0800750", + "-0.1593276", + "-0.1918430", + "0.0019483", + "0.3876124", + "0.5121184", + "0.1943896", + "0.0141119", + "0.0010113", + "-0.0000132" + ], + [ + "0.0000137", + "0.0001219", + "0.0006976", + "0.0030603", + "0.0106605", + "0.0295030", + "0.0590665", + "0.0722913", + "-0.0120659", + "-0.1871350", + "-0.2967952", + "-0.0007499", + "0.5089683", + "0.5105182", + "0.1276009" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.0283760e+03", + "3.1027569e+02", + "1.2073579e+02", + "5.2922175e+01", + "2.4865989e+01", + "1.2069919e+01", + "5.9224418e+00", + "2.8872542e+00", + "1.3150854e+00", + "5.7148268e-01", + "2.3401053e-01", + "8.8072760e-02" + ], + "coefficients": [ + [ + "0.0005559", + "0.0051630", + "0.0271825", + "0.0940717", + "0.2231708", + "0.3503116", + "0.3508001", + "0.1753406", + "0.0283735", + "0.0002306", + "0.0002829", + "-0.0000804" + ], + [ + "-0.0001470", + "-0.0013609", + "-0.0072440", + "-0.0251959", + "-0.0607699", + "-0.0914179", + "-0.0828373", + "0.0481875", + "0.2880341", + "0.4220530", + "0.3530590", + "0.1402185" + ] + ] + } + ] + }, + "43": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.1090582e+07", + "3.1585172e+06", + "7.1901558e+05", + "2.0370546e+05", + "6.6459435e+04", + "2.3988569e+04", + "9.3543508e+03", + "3.8799742e+03", + "1.6928040e+03", + "7.7001968e+02", + "3.6232284e+02", + "1.7388120e+02", + "7.8872904e+01", + "4.0173556e+01", + "2.0190215e+01", + "9.0542227e+00", + "4.6456740e+00", + "2.2644248e+00", + "1.0678730e+00", + "4.7421202e-01", + "9.2050744e-02", + "3.4700898e-02" + ], + "coefficients": [ + [ + "0.0000042", + "0.0000328", + "0.0001727", + "0.0007289", + "0.0026496", + "0.0085867", + "0.0251202", + "0.0659686", + "0.1503395", + "0.2760325", + "0.3489533", + "0.2287638", + "0.0428716", + "-0.0032514", + "0.0019263", + "-0.0010861", + "0.0006561", + "-0.0003494", + "0.0001560", + "-0.0000456", + "0.0000095", + "-0.0000039" + ], + [ + "-0.0000014", + "-0.0000105", + "-0.0000552", + "-0.0002331", + "-0.0008502", + "-0.0027675", + "-0.0082207", + "-0.0222430", + "-0.0544003", + "-0.1145766", + "-0.1908177", + "-0.1728552", + "0.1553393", + "0.5675236", + "0.4065123", + "0.0602607", + "-0.0053607", + "0.0027031", + "-0.0011493", + "0.0002687", + "-0.0000590", + "0.0000241" + ], + [ + "0.0000006", + "0.0000044", + "0.0000234", + "0.0000988", + "0.0003608", + "0.0011735", + "0.0034994", + "0.0094859", + "0.0234889", + "0.0502642", + "0.0876211", + "0.0842534", + "-0.0892089", + "-0.4553474", + "-0.4292142", + "0.4027000", + "0.7657973", + "0.1872967", + "0.0030711", + "0.0017510", + "-0.0001060", + "0.0000460" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000094", + "-0.0000394", + "-0.0001442", + "-0.0004684", + "-0.0014000", + "-0.0037888", + "-0.0094259", + "-0.0201684", + "-0.0356087", + "-0.0343543", + "0.0370976", + "0.2067481", + "0.2038292", + "-0.2272360", + "-0.7422380", + "-0.1262943", + "0.8572953", + "0.4998583", + "0.0131520", + "-0.0034580" + ], + [ + "0.0000001", + "0.0000005", + "0.0000024", + "0.0000101", + "0.0000367", + "0.0001195", + "0.0003566", + "0.0009673", + "0.0024006", + "0.0051575", + "0.0090720", + "0.0088583", + "-0.0097111", + "-0.0533131", + "-0.0543117", + "0.0631543", + "0.2154377", + "0.0367684", + "-0.3410653", + "-0.3175758", + "0.6401216", + "0.5415712" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.5339346e+04", + "8.3674283e+03", + "2.7173458e+03", + "1.0391741e+03", + "4.4065136e+02", + "2.0084747e+02", + "9.6213681e+01", + "4.7763105e+01", + "2.4156870e+01", + "1.2006638e+01", + "6.0207561e+00", + "3.0223104e+00", + "1.4357827e+00", + "6.5493847e-01", + "2.7254097e-01" + ], + "coefficients": [ + [ + "0.0000803", + "0.0007129", + "0.0040853", + "0.0177070", + "0.0606814", + "0.1609949", + "0.3084933", + "0.3707289", + "0.2159740", + "0.0421622", + "0.0012882", + "0.0005113", + "-0.0001835", + "0.0000335", + "-0.0000159" + ], + [ + "-0.0000351", + "-0.0003121", + "-0.0017946", + "-0.0078710", + "-0.0275772", + "-0.0763957", + "-0.1550949", + "-0.1957396", + "-0.0200839", + "0.3656933", + "0.5212393", + "0.2145878", + "0.0180412", + "0.0008911", + "0.0000001" + ], + [ + "0.0000131", + "0.0001167", + "0.0006692", + "0.0029515", + "0.0103417", + "0.0289794", + "0.0591583", + "0.0761179", + "-0.0028997", + "-0.1825175", + "-0.3108521", + "-0.0249574", + "0.5078542", + "0.5245230", + "0.1263469" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.2357458e+03", + "3.7280133e+02", + "1.4508285e+02", + "6.3769842e+01", + "3.0059017e+01", + "1.4695955e+01", + "7.2673455e+00", + "3.5874371e+00", + "1.6791697e+00", + "7.5680520e-01", + "3.2495985e-01", + "1.2726985e-01" + ], + "coefficients": [ + [ + "0.0004241", + "0.0040031", + "0.0217587", + "0.0783338", + "0.1967264", + "0.3313017", + "0.3639917", + "0.2108672", + "0.0433401", + "0.0009377", + "0.0004375", + "-0.0001064" + ], + [ + "-0.0001258", + "-0.0011818", + "-0.0064963", + "-0.0234804", + "-0.0601339", + "-0.0980387", + "-0.1001254", + "0.0182548", + "0.2724062", + "0.4383598", + "0.3569316", + "0.1224304" + ] + ] + } + ] + }, + "44": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.1413164e+07", + "3.2068909e+06", + "7.2995195e+05", + "2.0685946e+05", + "6.7538250e+04", + "2.4408012e+04", + "9.5348521e+03", + "3.9636689e+03", + "1.7332105e+03", + "7.9004317e+02", + "3.7244963e+02", + "1.7904361e+02", + "8.0997291e+01", + "4.1253400e+01", + "2.0752754e+01", + "9.2821441e+00", + "4.7421409e+00", + "2.2366673e+00", + "1.0870325e+00", + "4.7652461e-01", + "8.9292550e-02", + "3.3512398e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000341", + "0.0001795", + "0.0007571", + "0.0027480", + "0.0088835", + "0.0258899", + "0.0676636", + "0.1532786", + "0.2790742", + "0.3480640", + "0.2233614", + "0.0402798", + "-0.0032588", + "0.0018455", + "-0.0010277", + "0.0006034", + "-0.0003230", + "0.0001528", + "-0.0000427", + "0.0000087", + "-0.0000036" + ], + [ + "-0.0000014", + "-0.0000109", + "-0.0000575", + "-0.0002426", + "-0.0008835", + "-0.0028690", + "-0.0084948", + "-0.0228865", + "-0.0557407", + "-0.1166809", + "-0.1926167", + "-0.1691634", + "0.1711921", + "0.5734648", + "0.3921087", + "0.0544853", + "-0.0048530", + "0.0023486", + "-0.0010863", + "0.0002440", + "-0.0000551", + "0.0000194" + ], + [ + "0.0000006", + "0.0000047", + "0.0000245", + "0.0001034", + "0.0003773", + "0.0012239", + "0.0036387", + "0.0098208", + "0.0242288", + "0.0515416", + "0.0891787", + "0.0831619", + "-0.0999758", + "-0.4706765", + "-0.4148366", + "0.4524235", + "0.7577541", + "0.1563583", + "-0.0012248", + "0.0022267", + "-0.0001874", + "0.0000795" + ], + [ + "-0.0000002", + "-0.0000019", + "-0.0000099", + "-0.0000417", + "-0.0001521", + "-0.0004930", + "-0.0014680", + "-0.0039601", + "-0.0098032", + "-0.0208918", + "-0.0365313", + "-0.0343700", + "0.0425117", + "0.2157010", + "0.2018170", + "-0.2696493", + "-0.7664425", + "-0.0279771", + "0.8733770", + "0.4445494", + "0.0101073", + "-0.0038801" + ], + [ + "0.0000001", + "0.0000004", + "0.0000024", + "0.0000099", + "0.0000362", + "0.0001177", + "0.0003497", + "0.0009459", + "0.0023349", + "0.0049986", + "0.0087024", + "0.0082999", + "-0.0104144", + "-0.0520224", + "-0.0504838", + "0.0705202", + "0.2083261", + "0.0051445", + "-0.3330553", + "-0.2619909", + "0.6090778", + "0.5541250" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.7000982e+04", + "8.7603195e+03", + "2.8446723e+03", + "1.0877700e+03", + "4.6125737e+02", + "2.1025558e+02", + "1.0072479e+02", + "4.9997233e+01", + "2.5275172e+01", + "1.2550431e+01", + "6.3020064e+00", + "3.1610224e+00", + "1.5129961e+00", + "6.8695063e-01", + "2.8321028e-01" + ], + "coefficients": [ + [ + "0.0000807", + "0.0007158", + "0.0041033", + "0.0177925", + "0.0609896", + "0.1617993", + "0.3098154", + "0.3709279", + "0.2142075", + "0.0409705", + "0.0011374", + "0.0004746", + "-0.0001905", + "0.0000280", + "-0.0000179" + ], + [ + "-0.0000355", + "-0.0003158", + "-0.0018168", + "-0.0079727", + "-0.0279451", + "-0.0774432", + "-0.1572077", + "-0.1974128", + "-0.0161866", + "0.3761213", + "0.5217731", + "0.2031471", + "0.0156834", + "0.0011632", + "0.0000406" + ], + [ + "0.0000134", + "0.0001193", + "0.0006847", + "0.0030204", + "0.0105944", + "0.0296864", + "0.0606665", + "0.0775431", + "-0.0048450", + "-0.1916944", + "-0.3174243", + "-0.0022096", + "0.5211142", + "0.5069783", + "0.1233683" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.1860795e+03", + "3.5771649e+02", + "1.3911871e+02", + "6.0997233e+01", + "2.8670356e+01", + "1.3930264e+01", + "6.8564789e+00", + "3.3645738e+00", + "1.5639242e+00", + "6.8882363e-01", + "2.8410416e-01", + "1.0656507e-01" + ], + "coefficients": [ + [ + "0.0005257", + "0.0049239", + "0.0262940", + "0.0924760", + "0.2229491", + "0.3545278", + "0.3527203", + "0.1682678", + "0.0256564", + "0.0007310", + "0.0003361", + "0.0000299" + ], + [ + "-0.0001536", + "-0.0014361", + "-0.0077458", + "-0.0274426", + "-0.0672261", + "-0.1028208", + "-0.0900587", + "0.0658878", + "0.3158846", + "0.4219944", + "0.3262617", + "0.1227362" + ] + ] + } + ] + }, + "45": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.2336709e+07", + "3.3449464e+06", + "7.6154530e+05", + "2.1590070e+05", + "7.0518584e+04", + "2.5489586e+04", + "9.9564115e+03", + "4.1375934e+03", + "1.8088441e+03", + "8.2461568e+02", + "3.8897512e+02", + "1.8719105e+02", + "8.4887636e+01", + "4.3269347e+01", + "2.1789121e+01", + "9.7596056e+00", + "5.0030469e+00", + "2.3472525e+00", + "1.1487685e+00", + "5.0429277e-01", + "9.0534796e-02", + "3.3650936e-02" + ], + "coefficients": [ + [ + "0.0000044", + "0.0000343", + "0.0001801", + "0.0007591", + "0.0027539", + "0.0089025", + "0.0259558", + "0.0678622", + "0.1536832", + "0.2794372", + "0.3477425", + "0.2226652", + "0.0401380", + "-0.0031952", + "0.0018101", + "-0.0010102", + "0.0005900", + "-0.0003139", + "0.0001496", + "-0.0000410", + "0.0000080", + "-0.0000034" + ], + [ + "-0.0000014", + "-0.0000110", + "-0.0000578", + "-0.0002437", + "-0.0008870", + "-0.0028804", + "-0.0085321", + "-0.0230003", + "-0.0560128", + "-0.1171668", + "-0.1930467", + "-0.1690389", + "0.1719929", + "0.5736967", + "0.3918616", + "0.0542586", + "-0.0049184", + "0.0023041", + "-0.0010837", + "0.0002382", + "-0.0000508", + "0.0000190" + ], + [ + "0.0000006", + "0.0000047", + "0.0000248", + "0.0001045", + "0.0003810", + "0.0012359", + "0.0036761", + "0.0099277", + "0.0244931", + "0.0520755", + "0.0899635", + "0.0836766", + "-0.1013511", + "-0.4752339", + "-0.4171276", + "0.4627758", + "0.7575269", + "0.1510428", + "-0.0018838", + "0.0023076", + "-0.0001918", + "0.0000837" + ], + [ + "-0.0000002", + "-0.0000019", + "-0.0000101", + "-0.0000426", + "-0.0001554", + "-0.0005041", + "-0.0015008", + "-0.0040533", + "-0.0100283", + "-0.0213794", + "-0.0372902", + "-0.0350888", + "0.0438618", + "0.2205559", + "0.2072542", + "-0.2849639", + "-0.7838433", + "0.0070440", + "0.8787458", + "0.4252285", + "0.0093219", + "-0.0030640" + ], + [ + "0.0000001", + "0.0000004", + "0.0000023", + "0.0000098", + "0.0000356", + "0.0001155", + "0.0003432", + "0.0009295", + "0.0022929", + "0.0049115", + "0.0085275", + "0.0081391", + "-0.0103258", + "-0.0510700", + "-0.0498630", + "0.0717922", + "0.2050381", + "-0.0073213", + "-0.3199866", + "-0.2423855", + "0.5990920", + "0.5548838" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.9147329e+04", + "9.2689544e+03", + "3.0093944e+03", + "1.1503140e+03", + "4.8752160e+02", + "2.2212183e+02", + "1.0639954e+02", + "5.2836084e+01", + "2.6735734e+01", + "1.3302376e+01", + "6.7048401e+00", + "3.3729272e+00", + "1.6248919e+00", + "7.4011537e-01", + "3.0600559e-01" + ], + "coefficients": [ + [ + "0.0000793", + "0.0007043", + "0.0040414", + "0.0175613", + "0.0603733", + "0.1607222", + "0.3088389", + "0.3712220", + "0.2158044", + "0.0416930", + "0.0011159", + "0.0004703", + "-0.0002047", + "0.0000268", + "-0.0000190" + ], + [ + "-0.0000352", + "-0.0003131", + "-0.0018026", + "-0.0079272", + "-0.0278671", + "-0.0775023", + "-0.1579497", + "-0.1991993", + "-0.0182095", + "0.3768879", + "0.5232027", + "0.2016763", + "0.0155320", + "0.0012855", + "0.0000502" + ], + [ + "0.0000135", + "0.0001202", + "0.0006904", + "0.0030506", + "0.0107367", + "0.0301850", + "0.0619803", + "0.0795062", + "-0.0041470", + "-0.1968247", + "-0.3252040", + "0.0051135", + "0.5276775", + "0.5014791", + "0.1202345" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.2488648e+03", + "3.7665294e+02", + "1.4645134e+02", + "6.4202623e+01", + "3.0178403e+01", + "1.4666433e+01", + "7.2312332e+00", + "3.5579847e+00", + "1.6718518e+00", + "7.4257580e-01", + "3.0862530e-01", + "1.1645194e-01" + ], + "coefficients": [ + [ + "0.0005305", + "0.0049768", + "0.0266509", + "0.0939644", + "0.2264232", + "0.3585674", + "0.3507158", + "0.1604446", + "0.0232321", + "0.0009872", + "0.0003416", + "0.0000809" + ], + [ + "-0.0001609", + "-0.0015103", + "-0.0081588", + "-0.0290356", + "-0.0709856", + "-0.1083248", + "-0.0909176", + "0.0787718", + "0.3282281", + "0.4191354", + "0.3129160", + "0.1134944" + ] + ] + } + ] + }, + "46": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.2791560e+07", + "3.4126346e+06", + "7.7672429e+05", + "2.2009425e+05", + "7.1852877e+04", + "2.5964149e+04", + "1.0137784e+04", + "4.2093298e+03", + "1.8374663e+03", + "8.3603847e+02", + "3.9363466e+02", + "1.8917133e+02", + "8.4734860e+01", + "4.2987615e+01", + "2.1623412e+01", + "9.6110682e+00", + "4.8463822e+00", + "2.0719674e+00", + "1.0092441e+00", + "4.2695238e-01" + ], + "coefficients": [ + [ + "0.0000045", + "0.0000353", + "0.0001857", + "0.0007834", + "0.0028431", + "0.0091911", + "0.0267963", + "0.0700520", + "0.1583128", + "0.2856676", + "0.3479568", + "0.2132488", + "0.0351004", + "-0.0032282", + "0.0016624", + "-0.0008796", + "0.0004577", + "-0.0002188", + "0.0001049", + "-0.0000232" + ], + [ + "-0.0000015", + "-0.0000113", + "-0.0000597", + "-0.0002519", + "-0.0009176", + "-0.0029789", + "-0.0088318", + "-0.0238122", + "-0.0580433", + "-0.1209071", + "-0.1969491", + "-0.1614421", + "0.2085839", + "0.5864498", + "0.3567774", + "0.0417476", + "-0.0034095", + "0.0013209", + "-0.0006873", + "0.0001181" + ], + [ + "0.0000006", + "0.0000049", + "0.0000258", + "0.0001086", + "0.0003963", + "0.0012848", + "0.0038274", + "0.0103330", + "0.0255453", + "0.0540768", + "0.0926355", + "0.0805836", + "-0.1259192", + "-0.5062121", + "-0.3717527", + "0.5722089", + "0.7116618", + "0.0970279", + "-0.0058801", + "0.0020158" + ], + [ + "-0.0000003", + "-0.0000020", + "-0.0000106", + "-0.0000446", + "-0.0001626", + "-0.0005279", + "-0.0015706", + "-0.0042528", + "-0.0105076", + "-0.0224088", + "-0.0385266", + "-0.0344019", + "0.0561335", + "0.2358951", + "0.1928710", + "-0.3854781", + "-0.7732674", + "0.2792732", + "0.8592474", + "0.2587164" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.0159454e+04", + "9.5099171e+03", + "3.0890599e+03", + "1.1817315e+03", + "5.0136308e+02", + "2.2868333e+02", + "1.0965896e+02", + "5.4512120e+01", + "2.7600325e+01", + "1.3741355e+01", + "6.9423451e+00", + "3.4856966e+00", + "1.6870165e+00", + "7.6450286e-01", + "3.1136194e-01" + ], + "coefficients": [ + [ + "0.0000822", + "0.0007294", + "0.0041782", + "0.0181037", + "0.0619879", + "0.1640582", + "0.3125180", + "0.3700483", + "0.2101223", + "0.0390344", + "0.0009816", + "0.0003882", + "-0.0001909", + "0.0000151", + "-0.0000185" + ], + [ + "-0.0000367", + "-0.0003265", + "-0.0018770", + "-0.0082324", + "-0.0288414", + "-0.0797970", + "-0.1613904", + "-0.1997060", + "-0.0089729", + "0.3914790", + "0.5201692", + "0.1873988", + "0.0129603", + "0.0014755", + "0.0000791" + ], + [ + "0.0000142", + "0.0001263", + "0.0007249", + "0.0031925", + "0.0112083", + "0.0313291", + "0.0639389", + "0.0802530", + "-0.0085581", + "-0.2084409", + "-0.3283975", + "0.0350631", + "0.5401781", + "0.4816972", + "0.1146457" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.2122767e+03", + "3.6556477e+02", + "1.4207662e+02", + "6.2182457e+01", + "2.9157384e+01", + "1.4087426e+01", + "6.9035644e+00", + "3.3460859e+00", + "1.5610854e+00", + "6.8102136e-01", + "2.7352247e-01", + "9.8647524e-02" + ], + "coefficients": [ + [ + "0.0006371", + "0.0059322", + "0.0312575", + "0.1077989", + "0.2502867", + "0.3766733", + "0.3334376", + "0.1246164", + "0.0122816", + "0.0007599", + "-0.0001023", + "0.0000418" + ], + [ + "-0.0001904", + "-0.0017827", + "-0.0094423", + "-0.0330544", + "-0.0772928", + "-0.1120809", + "-0.0740150", + "0.1282191", + "0.3543613", + "0.3987832", + "0.2884587", + "0.1141843" + ] + ] + } + ] + }, + "47": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.5797979e+07", + "3.8622911e+06", + "8.7891034e+05", + "2.4891530e+05", + "8.1189713e+04", + "2.9302147e+04", + "1.1423713e+04", + "4.7349488e+03", + "2.0629587e+03", + "9.3664355e+02", + "4.3985749e+02", + "2.1077337e+02", + "9.5678005e+01", + "4.8778781e+01", + "2.4517174e+01", + "1.0967218e+01", + "5.6705273e+00", + "2.6707649e+00", + "1.3001433e+00", + "5.6787132e-01", + "9.1614424e-02", + "3.3662661e-02" + ], + "coefficients": [ + [ + "0.0000041", + "0.0000319", + "0.0001680", + "0.0007095", + "0.0025800", + "0.0083643", + "0.0245025", + "0.0645578", + "0.1479754", + "0.2739326", + "0.3501397", + "0.2327589", + "0.0443412", + "-0.0033536", + "0.0019527", + "-0.0010990", + "0.0006516", + "-0.0003389", + "0.0001570", + "-0.0000418", + "0.0000076", + "-0.0000033" + ], + [ + "-0.0000013", + "-0.0000103", + "-0.0000541", + "-0.0002285", + "-0.0008336", + "-0.0027145", + "-0.0080719", + "-0.0219041", + "-0.0538354", + "-0.1141989", + "-0.1918868", + "-0.1768386", + "0.1524496", + "0.5701405", + "0.4091014", + "0.0590362", + "-0.0057847", + "0.0025382", + "-0.0011626", + "0.0002488", + "-0.0000474", + "0.0000207" + ], + [ + "0.0000006", + "0.0000045", + "0.0000235", + "0.0000990", + "0.0003619", + "0.0011771", + "0.0035148", + "0.0095531", + "0.0237818", + "0.0512496", + "0.0902351", + "0.0883419", + "-0.0903089", + "-0.4729976", + "-0.4420852", + "0.4521421", + "0.7694748", + "0.1549870", + "-0.0013485", + "0.0022820", + "-0.0001748", + "0.0000741" + ], + [ + "-0.0000002", + "-0.0000019", + "-0.0000098", + "-0.0000412", + "-0.0001507", + "-0.0004900", + "-0.0014643", + "-0.0039813", + "-0.0099351", + "-0.0214795", + "-0.0381591", + "-0.0378627", + "0.0399999", + "0.2240666", + "0.2261927", + "-0.2898680", + "-0.8163689", + "0.0324018", + "0.8895679", + "0.4075411", + "0.0082668", + "-0.0021784" + ], + [ + "0.0000001", + "0.0000004", + "0.0000021", + "0.0000087", + "0.0000316", + "0.0001029", + "0.0003071", + "0.0008369", + "0.0020833", + "0.0045224", + "0.0080058", + "0.0080387", + "-0.0086284", + "-0.0476356", + "-0.0497993", + "0.0669728", + "0.1967060", + "-0.0178314", + "-0.2889585", + "-0.2181072", + "0.5845280", + "0.5530077" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.3727584e+04", + "1.0350978e+04", + "3.3615766e+03", + "1.2859097e+03", + "5.4568195e+02", + "2.4899916e+02", + "1.1948921e+02", + "5.9450269e+01", + "3.0154917e+01", + "1.5057584e+01", + "7.6400592e+00", + "3.8670166e+00", + "1.8764365e+00", + "8.5786063e-01", + "3.5636271e-01" + ], + "coefficients": [ + [ + "0.0000767", + "0.0006809", + "0.0039079", + "0.0169894", + "0.0585173", + "0.1566100", + "0.3039941", + "0.3718225", + "0.2227067", + "0.0449797", + "0.0011079", + "0.0005136", + "-0.0002526", + "0.0000316", + "-0.0000232" + ], + [ + "-0.0000344", + "-0.0003068", + "-0.0017666", + "-0.0077726", + "-0.0273682", + "-0.0765137", + "-0.1575481", + "-0.2027508", + "-0.0279298", + "0.3714388", + "0.5282144", + "0.2053605", + "0.0164783", + "0.0014408", + "0.0000909" + ], + [ + "0.0000135", + "0.0001209", + "0.0006948", + "0.0030710", + "0.0108298", + "0.0306039", + "0.0635428", + "0.0831821", + "0.0000109", + "-0.2019085", + "-0.3397784", + "0.0093628", + "0.5350541", + "0.4968457", + "0.1182786" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.4002676e+03", + "4.2253902e+02", + "1.6444393e+02", + "7.2230892e+01", + "3.4037540e+01", + "1.6594821e+01", + "8.2233339e+00", + "4.0701047e+00", + "1.9428942e+00", + "8.7484038e-01", + "3.6819540e-01", + "1.4033442e-01" + ], + "coefficients": [ + [ + "0.0005219", + "0.0049096", + "0.0264311", + "0.0937576", + "0.2272520", + "0.3615652", + "0.3504436", + "0.1544884", + "0.0210671", + "0.0008245", + "0.0000154", + "0.0000112" + ], + [ + "-0.0001675", + "-0.0015799", + "-0.0085698", + "-0.0307566", + "-0.0755617", + "-0.1162767", + "-0.0937284", + "0.0938465", + "0.3424193", + "0.4147713", + "0.2965475", + "0.1022394" + ] + ] + } + ] + }, + "48": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.7798601e+07", + "4.1614937e+06", + "9.4663915e+05", + "2.6811296e+05", + "8.7479457e+04", + "3.1578049e+04", + "1.2309912e+04", + "5.1009277e+03", + "2.2216338e+03", + "1.0082215e+03", + "4.7315851e+02", + "2.2661180e+02", + "1.0365508e+02", + "5.2902584e+01", + "2.6589232e+01", + "1.2000641e+01", + "6.2932217e+00", + "3.0755272e+00", + "1.4801296e+00", + "6.5817762e-01", + "1.2110287e-01", + "4.3345704e-02" + ], + "coefficients": [ + [ + "0.0000039", + "0.0000307", + "0.0001614", + "0.0006816", + "0.0024776", + "0.0080355", + "0.0235721", + "0.0622730", + "0.1435182", + "0.2684798", + "0.3502555", + "0.2412280", + "0.0491248", + "-0.0032456", + "0.0020647", + "-0.0012014", + "0.0007428", + "-0.0003878", + "0.0001722", + "-0.0000479", + "0.0000090", + "-0.0000036" + ], + [ + "-0.0000013", + "-0.0000099", + "-0.0000521", + "-0.0002199", + "-0.0008016", + "-0.0026116", + "-0.0077710", + "-0.0211333", + "-0.0520965", + "-0.1113275", + "-0.1894814", + "-0.1829236", + "0.1280243", + "0.5603011", + "0.4316950", + "0.0684465", + "-0.0067636", + "0.0030283", + "-0.0013007", + "0.0002892", + "-0.0000573", + "0.0000230" + ], + [ + "0.0000006", + "0.0000043", + "0.0000227", + "0.0000958", + "0.0003497", + "0.0011383", + "0.0034002", + "0.0092635", + "0.0231154", + "0.0501836", + "0.0893567", + "0.0917057", + "-0.0755862", + "-0.4585378", + "-0.4717510", + "0.3926609", + "0.7889614", + "0.1896550", + "0.0028534", + "0.0020842", + "-0.0001244", + "0.0000533" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000096", + "-0.0000404", + "-0.0001478", + "-0.0004807", + "-0.0014380", + "-0.0039161", + "-0.0098048", + "-0.0213285", + "-0.0383812", + "-0.0397866", + "0.0336542", + "0.2206924", + "0.2435186", + "-0.2487808", + "-0.8330981", + "-0.0594460", + "0.8887053", + "0.4619672", + "0.0107561", + "-0.0028299" + ], + [ + "0.0000001", + "0.0000004", + "0.0000023", + "0.0000096", + "0.0000351", + "0.0001144", + "0.0003412", + "0.0009322", + "0.0023257", + "0.0050872", + "0.0091046", + "0.0095863", + "-0.0083148", + "-0.0529845", + "-0.0610303", + "0.0661383", + "0.2265322", + "0.0119585", + "-0.3357399", + "-0.2699140", + "0.6146245", + "0.5518834" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.6576029e+04", + "1.1028745e+04", + "3.5821094e+03", + "1.3702464e+03", + "5.8134960e+02", + "2.6523227e+02", + "1.2731727e+02", + "6.3392482e+01", + "3.2200453e+01", + "1.6121989e+01", + "8.2122755e+00", + "4.1755461e+00", + "2.0356164e+00", + "9.3921773e-01", + "3.9410101e-01" + ], + "coefficients": [ + [ + "0.0000741", + "0.0006582", + "0.0037803", + "0.0164701", + "0.0569505", + "0.1533158", + "0.3001330", + "0.3722451", + "0.2283040", + "0.0478909", + "0.0011876", + "0.0005597", + "-0.0002841", + "0.0000386", + "-0.0000242" + ], + [ + "-0.0000335", + "-0.0002984", + "-0.0017196", + "-0.0075807", + "-0.0267891", + "-0.0753163", + "-0.1563897", + "-0.2045667", + "-0.0362756", + "0.3631622", + "0.5314647", + "0.2126001", + "0.0180461", + "0.0014630", + "0.0000555" + ], + [ + "0.0000134", + "0.0001198", + "0.0006891", + "0.0030516", + "0.0108012", + "0.0306955", + "0.0642850", + "0.0855827", + "0.0038881", + "-0.2023124", + "-0.3492531", + "0.0014782", + "0.5384198", + "0.5019393", + "0.1136196" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.5762473e+03", + "4.7586314e+02", + "1.8535717e+02", + "8.1626757e+01", + "3.8598673e+01", + "1.8940042e+01", + "9.4586447e+00", + "4.7421020e+00", + "2.3008192e+00", + "1.0598989e+00", + "4.6063145e-01", + "1.8170410e-01" + ], + "coefficients": [ + [ + "0.0004506", + "0.0042706", + "0.0233444", + "0.0845182", + "0.2111189", + "0.3493713", + "0.3596405", + "0.1762827", + "0.0289768", + "0.0010483", + "0.0000957", + "-0.0000106" + ], + [ + "-0.0001534", + "-0.0014544", + "-0.0080210", + "-0.0293287", + "-0.0745143", + "-0.1197370", + "-0.1073069", + "0.0703800", + "0.3337358", + "0.4263689", + "0.3004679", + "0.0937834" + ] + ] + } + ] + }, + "49": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.9886704e+07", + "4.4747457e+06", + "1.0180330e+06", + "2.8823744e+05", + "9.3987180e+04", + "3.3908184e+04", + "1.3213658e+04", + "5.4741443e+03", + "2.3837391e+03", + "1.0815475e+03", + "5.0744852e+02", + "2.4310267e+02", + "1.1222396e+02", + "5.7265982e+01", + "2.8779303e+01", + "1.3117661e+01", + "6.9608236e+00", + "3.4879437e+00", + "1.6580234e+00", + "7.4957531e-01", + "1.5580777e-01", + "5.7715677e-02" + ], + "coefficients": [ + [ + "0.0000038", + "0.0000295", + "0.0001552", + "0.0006560", + "0.0023873", + "0.0077494", + "0.0227597", + "0.0602560", + "0.1395106", + "0.2633528", + "0.3497788", + "0.2487710", + "0.0540424", + "-0.0029233", + "0.0021095", + "-0.0012624", + "0.0007999", + "-0.0004169", + "0.0001804", + "-0.0000530", + "0.0000108", + "-0.0000042" + ], + [ + "-0.0000012", + "-0.0000095", + "-0.0000502", + "-0.0002120", + "-0.0007734", + "-0.0025223", + "-0.0075088", + "-0.0204558", + "-0.0505451", + "-0.1086981", + "-0.1870063", + "-0.1879985", + "0.1048674", + "0.5490437", + "0.4530433", + "0.0785957", + "-0.0075091", + "0.0034416", + "-0.0014157", + "0.0003321", + "-0.0000706", + "0.0000276" + ], + [ + "0.0000005", + "0.0000042", + "0.0000220", + "0.0000928", + "0.0003390", + "0.0011048", + "0.0033005", + "0.0090097", + "0.0225216", + "0.0492088", + "0.0884338", + "0.0945594", + "-0.0617264", + "-0.4434533", + "-0.4983552", + "0.3323656", + "0.8045122", + "0.2264278", + "0.0073352", + "0.0018421", + "-0.0000905", + "0.0000343" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000094", + "-0.0000397", + "-0.0001453", + "-0.0004730", + "-0.0014159", + "-0.0038611", + "-0.0096910", + "-0.0211961", + "-0.0385432", + "-0.0415257", + "0.0275674", + "0.2165517", + "0.2597152", + "-0.2073293", + "-0.8435135", + "-0.1418197", + "0.8831508", + "0.5063308", + "0.0135824", + "-0.0031880" + ], + [ + "0.0000001", + "0.0000005", + "0.0000025", + "0.0000107", + "0.0000391", + "0.0001276", + "0.0003810", + "0.0010423", + "0.0026070", + "0.0057333", + "0.0103708", + "0.0113434", + "-0.0077685", + "-0.0590060", + "-0.0738184", + "0.0629691", + "0.2610071", + "0.0429926", + "-0.3828447", + "-0.3386362", + "0.6747795", + "0.5269292" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.4965451e+04", + "1.5375020e+04", + "4.9921173e+03", + "1.9096934e+03", + "8.1076503e+02", + "3.7034637e+02", + "1.7837893e+02", + "8.9167587e+01", + "4.5744201e+01", + "2.3569043e+01", + "1.2106238e+01", + "6.2983732e+00", + "3.1249257e+00", + "1.5204764e+00", + "7.0238558e-01", + "2.4465466e-01", + "9.4735165e-02", + "3.5451232e-02" + ], + "coefficients": [ + [ + "0.0000447", + "0.0003984", + "0.0023087", + "0.0102535", + "0.0367268", + "0.1057775", + "0.2327791", + "0.3555204", + "0.3099402", + "0.1155411", + "0.0110274", + "0.0009699", + "-0.0003540", + "0.0000790", + "-0.0000741", + "0.0000190", + "-0.0000093", + "0.0000030" + ], + [ + "-0.0000203", + "-0.0001816", + "-0.0010551", + "-0.0047262", + "-0.0172171", + "-0.0513279", + "-0.1189320", + "-0.1943771", + "-0.1480456", + "0.1583588", + "0.5072336", + "0.3995447", + "0.0825951", + "0.0018535", + "0.0011948", + "-0.0002122", + "0.0000959", + "-0.0000324" + ], + [ + "0.0000083", + "0.0000743", + "0.0004303", + "0.0019383", + "0.0070553", + "0.0212615", + "0.0495099", + "0.0827873", + "0.0590946", + "-0.0928649", + "-0.3138988", + "-0.2487246", + "0.3039749", + "0.5994805", + "0.3032940", + "0.0243642", + "-0.0022694", + "0.0008060" + ], + [ + "-0.0000016", + "-0.0000148", + "-0.0000855", + "-0.0003864", + "-0.0014031", + "-0.0042445", + "-0.0098632", + "-0.0166105", + "-0.0116148", + "0.0191065", + "0.0667557", + "0.0506933", + "-0.0793703", + "-0.1610211", + "-0.0872151", + "0.2315528", + "0.5695461", + "0.3554629" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.7575304e+03", + "5.3077940e+02", + "2.0685161e+02", + "9.1263894e+01", + "4.3262475e+01", + "2.1329964e+01", + "1.0712563e+01", + "5.4195857e+00", + "2.6634652e+00", + "1.2493339e+00", + "5.5727238e-01", + "2.2563314e-01" + ], + "coefficients": [ + [ + "0.0003960", + "0.0037771", + "0.0209220", + "0.0771412", + "0.1977436", + "0.3385089", + "0.3658410", + "0.1945706", + "0.0366206", + "0.0014217", + "0.0001488", + "-0.0000288" + ], + [ + "-0.0001418", + "-0.0013519", + "-0.0075622", + "-0.0281239", + "-0.0734995", + "-0.1226516", + "-0.1185488", + "0.0509496", + "0.3261046", + "0.4367731", + "0.3037728", + "0.0851517" + ] + ] + } + ] + }, + "50": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.1559297e+07", + "4.7267616e+06", + "1.0760958e+06", + "3.0488724e+05", + "9.9487908e+04", + "3.5921108e+04", + "1.4008546e+04", + "5.8072677e+03", + "2.5302443e+03", + "1.1486446e+03", + "5.3922989e+02", + "2.5859858e+02", + "1.2031575e+02", + "6.1376570e+01", + "3.0866518e+01", + "1.4210684e+01", + "7.6084510e+00", + "3.8715882e+00", + "1.8275356e+00", + "8.4030054e-01", + "1.9062751e-01", + "7.2084584e-02" + ], + "coefficients": [ + [ + "0.0000037", + "0.0000290", + "0.0001523", + "0.0006430", + "0.0023377", + "0.0075816", + "0.0222590", + "0.0589594", + "0.1368115", + "0.2596255", + "0.3489130", + "0.2538432", + "0.0578894", + "-0.0025613", + "0.0021179", + "-0.0012952", + "0.0008307", + "-0.0004325", + "0.0001855", + "-0.0000571", + "0.0000122", + "-0.0000046" + ], + [ + "-0.0000012", + "-0.0000094", + "-0.0000493", + "-0.0002081", + "-0.0007583", + "-0.0024713", + "-0.0073509", + "-0.0200312", + "-0.0495320", + "-0.1068894", + "-0.1851224", + "-0.1912311", + "0.0882429", + "0.5392566", + "0.4682646", + "0.0871179", + "-0.0078270", + "0.0036887", + "-0.0014889", + "0.0003648", + "-0.0000802", + "0.0000308" + ], + [ + "0.0000005", + "0.0000041", + "0.0000217", + "0.0000915", + "0.0003339", + "0.0010875", + "0.0032454", + "0.0088638", + "0.0221631", + "0.0486011", + "0.0878276", + "0.0965448", + "-0.0519635", + "-0.4320344", + "-0.5173092", + "0.2846397", + "0.8137011", + "0.2574637", + "0.0112980", + "0.0015923", + "-0.0000617", + "0.0000147" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000094", + "-0.0000397", + "-0.0001451", + "-0.0004720", + "-0.0014116", + "-0.0038501", + "-0.0096701", + "-0.0212154", + "-0.0388215", + "-0.0429406", + "0.0233022", + "0.2139966", + "0.2727660", + "-0.1754780", + "-0.8515440", + "-0.2041857", + "0.8774208", + "0.5382971", + "0.0161271", + "-0.0033969" + ], + [ + "0.0000001", + "0.0000005", + "0.0000028", + "0.0000116", + "0.0000424", + "0.0001382", + "0.0004121", + "0.0011279", + "0.0028220", + "0.0062282", + "0.0113308", + "0.0127374", + "-0.0071981", + "-0.0632427", + "-0.0843111", + "0.0586693", + "0.2860552", + "0.0723212", + "-0.4199981", + "-0.3918170", + "0.7082019", + "0.5230102" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.8665090e+04", + "1.6257881e+04", + "5.2834503e+03", + "2.0237745e+03", + "8.6056714e+02", + "3.9374671e+02", + "1.8997963e+02", + "9.5144887e+01", + "4.8925772e+01", + "2.5309350e+01", + "1.3044914e+01", + "6.8188240e+00", + "3.4173481e+00", + "1.6789954e+00", + "7.8903095e-01", + "2.8231913e-01", + "1.1624965e-01", + "4.5876776e-02" + ], + "coefficients": [ + [ + "0.0000437", + "0.0003888", + "0.0022495", + "0.0099746", + "0.0357058", + "0.1030259", + "0.2280079", + "0.3522780", + "0.3139446", + "0.1217885", + "0.0125927", + "0.0009413", + "-0.0003356", + "0.0000671", + "-0.0000740", + "0.0000201", + "-0.0000101", + "0.0000032" + ], + [ + "-0.0000200", + "-0.0001782", + "-0.0010340", + "-0.0046232", + "-0.0168300", + "-0.0502400", + "-0.1170527", + "-0.1935080", + "-0.1539723", + "0.1444334", + "0.5009833", + "0.4101376", + "0.0901360", + "0.0025036", + "0.0012248", + "-0.0002380", + "0.0001086", + "-0.0000367" + ], + [ + "0.0000083", + "0.0000742", + "0.0004295", + "0.0019304", + "0.0070243", + "0.0211880", + "0.0496387", + "0.0839106", + "0.0631688", + "-0.0878495", + "-0.3158896", + "-0.2648746", + "0.2881468", + "0.6064248", + "0.3120458", + "0.0254699", + "-0.0025120", + "0.0008680" + ], + [ + "-0.0000019", + "-0.0000173", + "-0.0000999", + "-0.0004512", + "-0.0016349", + "-0.0049604", + "-0.0115715", + "-0.0197673", + "-0.0144764", + "0.0210647", + "0.0794386", + "0.0630119", + "-0.0886428", + "-0.1976809", + "-0.1035380", + "0.2901444", + "0.5777827", + "0.2919492" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.9196291e+03", + "5.7997749e+02", + "2.2617335e+02", + "9.9959808e+01", + "4.7490879e+01", + "2.3506179e+01", + "1.1862477e+01", + "6.0437095e+00", + "3.0015431e+00", + "1.4283046e+00", + "6.4975922e-01", + "2.6714650e-01" + ], + "coefficients": [ + [ + "0.0003630", + "0.0034759", + "0.0194129", + "0.0724403", + "0.1888487", + "0.3306795", + "0.3688402", + "0.2066940", + "0.0424432", + "0.0018108", + "0.0001698", + "-0.0000414" + ], + [ + "-0.0001358", + "-0.0012984", + "-0.0073261", + "-0.0275598", + "-0.0733412", + "-0.1255795", + "-0.1269352", + "0.0382709", + "0.3222709", + "0.4452046", + "0.3029865", + "0.0777589" + ] + ] + } + ] + }, + "51": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.3913040e+07", + "5.0769007e+06", + "1.1550685e+06", + "3.2705633e+05", + "1.0664876e+05", + "3.8476717e+04", + "1.4992472e+04", + "6.2094007e+03", + "2.7029882e+03", + "1.2260565e+03", + "5.7521264e+02", + "2.7590593e+02", + "1.2933534e+02", + "6.5843376e+01", + "3.3106117e+01", + "1.5379102e+01", + "8.2867830e+00", + "4.2587059e+00", + "1.9981149e+00", + "9.3288099e-01", + "2.2615431e-01", + "8.6866193e-02" + ], + "coefficients": [ + [ + "0.0000036", + "0.0000279", + "0.0001466", + "0.0006194", + "0.0022544", + "0.0073216", + "0.0215391", + "0.0572216", + "0.1334199", + "0.2552520", + "0.3481702", + "0.2600014", + "0.0625488", + "-0.0020651", + "0.0021035", + "-0.0013102", + "0.0008449", + "-0.0004396", + "0.0001884", + "-0.0000605", + "0.0000134", + "-0.0000050" + ], + [ + "-0.0000012", + "-0.0000090", + "-0.0000475", + "-0.0002008", + "-0.0007322", + "-0.0023897", + "-0.0071184", + "-0.0194474", + "-0.0482303", + "-0.1046876", + "-0.1829506", + "-0.1948433", + "0.0703404", + "0.5284444", + "0.4840424", + "0.0963990", + "-0.0079758", + "0.0039012", + "-0.0015603", + "0.0003983", + "-0.0000891", + "0.0000337" + ], + [ + "0.0000005", + "0.0000040", + "0.0000210", + "0.0000887", + "0.0003238", + "0.0010563", + "0.0031561", + "0.0086433", + "0.0216652", + "0.0477882", + "0.0870362", + "0.0986617", + "-0.0414056", + "-0.4195583", + "-0.5357389", + "0.2371783", + "0.8216596", + "0.2877696", + "0.0151940", + "0.0013103", + "-0.0000345", + "-0.0000059" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000092", + "-0.0000390", + "-0.0001426", + "-0.0004644", + "-0.0013911", + "-0.0038032", + "-0.0095797", + "-0.0211295", + "-0.0389925", + "-0.0444217", + "0.0185471", + "0.2106132", + "0.2856569", + "-0.1434974", + "-0.8584849", + "-0.2616154", + "0.8730304", + "0.5643247", + "0.0185483", + "-0.0035267" + ], + [ + "0.0000001", + "0.0000005", + "0.0000029", + "0.0000121", + "0.0000442", + "0.0001444", + "0.0004312", + "0.0011836", + "0.0029686", + "0.0065902", + "0.0120839", + "0.0140056", + "-0.0061829", + "-0.0660663", + "-0.0939768", + "0.0519936", + "0.3061836", + "0.1023752", + "-0.4519222", + "-0.4368503", + "0.7321848", + "0.5249158" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.4817476e+04", + "1.7708753e+04", + "5.7518192e+03", + "2.2014424e+03", + "9.3520349e+02", + "4.2747602e+02", + "2.0613543e+02", + "1.0323023e+02", + "5.3132580e+01", + "2.7571497e+01", + "1.4230598e+01", + "7.4614965e+00", + "3.7716509e+00", + "1.8697625e+00", + "8.9238553e-01", + "3.3272048e-01", + "1.4154583e-01", + "5.7278680e-02" + ], + "coefficients": [ + [ + "0.0000404", + "0.0003602", + "0.0020885", + "0.0093023", + "0.0335267", + "0.0977366", + "0.2196308", + "0.3473498", + "0.3215834", + "0.1326917", + "0.0153783", + "0.0008961", + "-0.0002863", + "0.0000422", + "-0.0000698", + "0.0000191", + "-0.0000096", + "0.0000030" + ], + [ + "-0.0000186", + "-0.0001659", + "-0.0009652", + "-0.0043329", + "-0.0158746", + "-0.0478241", + "-0.1130788", + "-0.1913089", + "-0.1635430", + "0.1216106", + "0.4903229", + "0.4276483", + "0.1019388", + "0.0034311", + "0.0013045", + "-0.0002699", + "0.0001241", + "-0.0000389" + ], + [ + "0.0000079", + "0.0000703", + "0.0004080", + "0.0018404", + "0.0067424", + "0.0205130", + "0.0487995", + "0.0843474", + "0.0691813", + "-0.0777542", + "-0.3136144", + "-0.2879424", + "0.2615879", + "0.6139808", + "0.3278324", + "0.0282977", + "-0.0027765", + "0.0007693" + ], + [ + "-0.0000020", + "-0.0000182", + "-0.0001052", + "-0.0004768", + "-0.0017391", + "-0.0053236", + "-0.0126089", + "-0.0220308", + "-0.0176226", + "0.0207211", + "0.0877291", + "0.0768182", + "-0.0911895", + "-0.2259541", + "-0.1242515", + "0.3185267", + "0.5835318", + "0.2650737" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.0856076e+03", + "6.3029806e+02", + "2.4590363e+02", + "1.0882695e+02", + "5.1798071e+01", + "2.5718592e+01", + "1.3028776e+01", + "6.6745924e+00", + "3.3428521e+00", + "1.6094135e+00", + "7.4344069e-01", + "3.0871542e-01" + ], + "coefficients": [ + [ + "0.0003358", + "0.0032269", + "0.0181566", + "0.0684928", + "0.1812393", + "0.3238113", + "0.3710398", + "0.2169687", + "0.0477043", + "0.0022180", + "0.0001790", + "-0.0000524" + ], + [ + "-0.0001304", + "-0.0012509", + "-0.0071135", + "-0.0270418", + "-0.0731144", + "-0.1280964", + "-0.1342939", + "0.0274503", + "0.3193711", + "0.4527937", + "0.3014911", + "0.0721017" + ] + ] + } + ] + }, + "52": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.5647426e+07", + "5.3352522e+06", + "1.2135226e+06", + "3.4354461e+05", + "1.1201270e+05", + "4.0408789e+04", + "1.5743788e+04", + "6.5206676e+03", + "2.8389280e+03", + "1.2881077e+03", + "6.0459966e+02", + "2.9025154e+02", + "1.3664691e+02", + "6.9551812e+01", + "3.5004841e+01", + "1.6365347e+01", + "8.8602008e+00", + "4.5767169e+00", + "2.1557920e+00", + "1.0230951e+00", + "2.6314784e-01", + "1.0174415e-01" + ], + "coefficients": [ + [ + "0.0000035", + "0.0000275", + "0.0001447", + "0.0006116", + "0.0022264", + "0.0072325", + "0.0212849", + "0.0565720", + "0.1320522", + "0.2532686", + "0.3474630", + "0.2625137", + "0.0648174", + "-0.0017883", + "0.0020941", + "-0.0013221", + "0.0008578", + "-0.0004495", + "0.0001959", + "-0.0000649", + "0.0000146", + "-0.0000052" + ], + [ + "-0.0000011", + "-0.0000089", + "-0.0000469", + "-0.0001985", + "-0.0007241", + "-0.0023638", + "-0.0070424", + "-0.0192463", + "-0.0477517", + "-0.1038143", + "-0.1820072", + "-0.1963415", + "0.0621729", + "0.5224807", + "0.4913039", + "0.1014861", + "-0.0079978", + "0.0040181", + "-0.0016302", + "0.0004308", + "-0.0000962", + "0.0000357" + ], + [ + "0.0000005", + "0.0000040", + "0.0000208", + "0.0000881", + "0.0003215", + "0.0010493", + "0.0031353", + "0.0085904", + "0.0215375", + "0.0475878", + "0.0869079", + "0.0998199", + "-0.0367590", + "-0.4144145", + "-0.5455424", + "0.2137786", + "0.8253524", + "0.3035814", + "0.0173648", + "0.0011818", + "-0.0000401", + "-0.0000162" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000093", + "-0.0000392", + "-0.0001434", + "-0.0004672", + "-0.0013995", + "-0.0038277", + "-0.0096442", + "-0.0213074", + "-0.0394332", + "-0.0455186", + "0.0165724", + "0.2107875", + "0.2949542", + "-0.1293441", + "-0.8696403", + "-0.2915229", + "0.8733048", + "0.5785072", + "0.0204549", + "-0.0034560" + ], + [ + "0.0000001", + "0.0000006", + "0.0000030", + "0.0000128", + "0.0000468", + "0.0001529", + "0.0004563", + "0.0012536", + "0.0031432", + "0.0069953", + "0.0128496", + "0.0151218", + "-0.0059142", + "-0.0694818", + "-0.1024945", + "0.0505853", + "0.3260834", + "0.1242029", + "-0.4865770", + "-0.4729502", + "0.7609841", + "0.5219951" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.8242837e+04", + "1.8521661e+04", + "6.0189943e+03", + "2.3057791e+03", + "9.8078745e+02", + "4.4894381e+02", + "2.1675933e+02", + "1.0866274e+02", + "5.5984087e+01", + "2.9096917e+01", + "1.5053997e+01", + "7.9216659e+00", + "4.0297458e+00", + "2.0126813e+00", + "9.7580432e-01", + "3.7881578e-01", + "1.5933132e-01", + "6.3576033e-02" + ], + "coefficients": [ + [ + "0.0000401", + "0.0003573", + "0.0020695", + "0.0092035", + "0.0331234", + "0.0965568", + "0.2175242", + "0.3458806", + "0.3231832", + "0.1353718", + "0.0160726", + "0.0008906", + "-0.0002922", + "0.0000425", + "-0.0000725", + "0.0000205", + "-0.0000092", + "0.0000031" + ], + [ + "-0.0000185", + "-0.0001655", + "-0.0009615", + "-0.0043095", + "-0.0157662", + "-0.0474877", + "-0.1125715", + "-0.1914974", + "-0.1662412", + "0.1168928", + "0.4888343", + "0.4299761", + "0.1046668", + "0.0037895", + "0.0012894", + "-0.0002785", + "0.0001066", + "-0.0000388" + ], + [ + "0.0000080", + "0.0000713", + "0.0004131", + "0.0018601", + "0.0068061", + "0.0207005", + "0.0493890", + "0.0858283", + "0.0716718", + "-0.0769944", + "-0.3193120", + "-0.2954806", + "0.2611086", + "0.6191810", + "0.3243162", + "0.0282031", + "-0.0016616", + "0.0007988" + ], + [ + "-0.0000022", + "-0.0000198", + "-0.0001142", + "-0.0005175", + "-0.0018833", + "-0.0057697", + "-0.0136904", + "-0.0240937", + "-0.0195515", + "0.0219799", + "0.0965833", + "0.0843207", + "-0.0980760", + "-0.2530285", + "-0.1266445", + "0.3558337", + "0.5740637", + "0.2505345" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.2509327e+03", + "6.8046770e+02", + "2.6555300e+02", + "1.1764260e+02", + "5.6074570e+01", + "2.7912753e+01", + "1.4186316e+01", + "7.3012282e+00", + "3.6831756e+00", + "1.7911040e+00", + "8.3786493e-01", + "3.5064325e-01" + ], + "coefficients": [ + [ + "0.0003143", + "0.0030299", + "0.0171588", + "0.0653475", + "0.1751040", + "0.3181252", + "0.3724807", + "0.2251363", + "0.0521758", + "0.0026124", + "0.0001780", + "-0.0000611" + ], + [ + "-0.0001262", + "-0.0012140", + "-0.0069496", + "-0.0266651", + "-0.0730589", + "-0.1304766", + "-0.1406964", + "0.0187708", + "0.3177454", + "0.4595702", + "0.2990963", + "0.0668520" + ] + ] + } + ] + }, + "53": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.6171983e+07", + "5.4161565e+06", + "1.2325083e+06", + "3.4906852e+05", + "1.1386484e+05", + "4.1106183e+04", + "1.6037606e+04", + "6.6564645e+03", + "2.9058914e+03", + "1.3224817e+03", + "6.2262688e+02", + "2.9975797e+02", + "1.4145960e+02", + "7.2194128e+01", + "3.6426302e+01", + "1.7082824e+01", + "9.2906434e+00", + "4.8114294e+00", + "2.2936775e+00", + "1.1074325e+00", + "3.0108364e-01", + "1.1708866e-01" + ], + "coefficients": [ + [ + "0.0000036", + "0.0000283", + "0.0001488", + "0.0006286", + "0.0022866", + "0.0074158", + "0.0217557", + "0.0575607", + "0.1335823", + "0.2544832", + "0.3465655", + "0.2599574", + "0.0637798", + "-0.0017941", + "0.0020725", + "-0.0013208", + "0.0008645", + "-0.0004589", + "0.0002060", + "-0.0000700", + "0.0000158", + "-0.0000055" + ], + [ + "-0.0000012", + "-0.0000092", + "-0.0000483", + "-0.0002043", + "-0.0007447", + "-0.0024273", + "-0.0072109", + "-0.0196258", + "-0.0484542", + "-0.1047572", + "-0.1825748", + "-0.1951927", + "0.0651462", + "0.5227108", + "0.4894855", + "0.1013298", + "-0.0081396", + "0.0040830", + "-0.0017095", + "0.0004667", + "-0.0001028", + "0.0000374" + ], + [ + "0.0000005", + "0.0000041", + "0.0000215", + "0.0000910", + "0.0003320", + "0.0010819", + "0.0032236", + "0.0087968", + "0.0219498", + "0.0482434", + "0.0876204", + "0.0997893", + "-0.0388549", + "-0.4179607", + "-0.5468922", + "0.2175332", + "0.8256390", + "0.3031120", + "0.0174809", + "0.0012233", + "-0.0000874", + "-0.0000146" + ], + [ + "-0.0000002", + "-0.0000018", + "-0.0000097", + "-0.0000410", + "-0.0001498", + "-0.0004876", + "-0.0014561", + "-0.0039674", + "-0.0099465", + "-0.0218685", + "-0.0402398", + "-0.0461048", + "0.0178685", + "0.2154261", + "0.3006587", + "-0.1355068", + "-0.8872604", + "-0.2909099", + "0.8817569", + "0.5781285", + "0.0216844", + "-0.0032089" + ], + [ + "0.0000001", + "0.0000006", + "0.0000033", + "0.0000140", + "0.0000509", + "0.0001661", + "0.0004941", + "0.0013534", + "0.0033736", + "0.0074804", + "0.0136416", + "0.0159839", + "-0.0066971", + "-0.0738300", + "-0.1093895", + "0.0563303", + "0.3462439", + "0.1342187", + "-0.5256721", + "-0.4948024", + "0.7844998", + "0.5219848" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.1743688e+04", + "1.9344387e+04", + "6.2804832e+03", + "2.4028589e+03", + "1.0206430e+03", + "4.6664291e+02", + "2.2519637e+02", + "1.1294561e+02", + "5.8265239e+01", + "3.0345950e+01", + "1.5758160e+01", + "8.3296851e+00", + "4.2665662e+00", + "2.1470586e+00", + "1.0567789e+00", + "4.2724747e-01", + "1.8034351e-01", + "7.2051083e-02" + ], + "coefficients": [ + [ + "0.0000398", + "0.0003551", + "0.0020617", + "0.0091960", + "0.0331933", + "0.0969193", + "0.2182284", + "0.3460800", + "0.3222372", + "0.1347756", + "0.0160055", + "0.0008876", + "-0.0003101", + "0.0000488", + "-0.0000771", + "0.0000232", + "-0.0000094", + "0.0000033" + ], + [ + "-0.0000185", + "-0.0001653", + "-0.0009627", + "-0.0043280", + "-0.0158819", + "-0.0479253", + "-0.1135963", + "-0.1927881", + "-0.1662845", + "0.1184153", + "0.4898926", + "0.4274522", + "0.1047599", + "0.0040046", + "0.0012439", + "-0.0002862", + "0.0000881", + "-0.0000398" + ], + [ + "0.0000081", + "0.0000723", + "0.0004200", + "0.0018964", + "0.0069617", + "0.0212120", + "0.0506265", + "0.0877752", + "0.0727689", + "-0.0795643", + "-0.3271662", + "-0.2981754", + "0.2670485", + "0.6235773", + "0.3163592", + "0.0280031", + "-0.0005951", + "0.0008495" + ], + [ + "-0.0000024", + "-0.0000213", + "-0.0001233", + "-0.0005603", + "-0.0020455", + "-0.0062795", + "-0.0149035", + "-0.0261818", + "-0.0210581", + "0.0241656", + "0.1056517", + "0.0902046", + "-0.1072072", + "-0.2780908", + "-0.1269247", + "0.3825066", + "0.5693098", + "0.2373297" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.4193760e+03", + "7.3152911e+02", + "2.8559386e+02", + "1.2665293e+02", + "6.0448740e+01", + "3.0152630e+01", + "1.5363692e+01", + "7.9355577e+00", + "4.0258419e+00", + "1.9743198e+00", + "9.3321018e-01", + "3.9266006e-01" + ], + "coefficients": [ + [ + "0.0002962", + "0.0028633", + "0.0163004", + "0.0626027", + "0.1696836", + "0.3130965", + "0.3737136", + "0.2322255", + "0.0561191", + "0.0029704", + "0.0001746", + "-0.0000697" + ], + [ + "-0.0001225", + "-0.0011813", + "-0.0067998", + "-0.0263050", + "-0.0729485", + "-0.1326010", + "-0.1465451", + "0.0113223", + "0.3170881", + "0.4657286", + "0.2960009", + "0.0624365" + ] + ] + } + ] + }, + "54": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.7439585e+07", + "5.6057165e+06", + "1.2758600e+06", + "3.6147968e+05", + "1.1798538e+05", + "4.2623784e+04", + "1.6638808e+04", + "6.9076680e+03", + "3.0152337e+03", + "1.3717066e+03", + "6.4544844e+02", + "3.1053943e+02", + "1.4623464e+02", + "7.4724633e+01", + "3.7723814e+01", + "1.7656358e+01", + "9.6316740e+00", + "4.9814157e+00", + "2.4157583e+00", + "1.1858631e+00", + "3.3988109e-01", + "1.3288526e-01" + ], + "coefficients": [ + [ + "0.0000037", + "0.0000284", + "0.0001493", + "0.0006304", + "0.0022907", + "0.0074224", + "0.0217649", + "0.0575904", + "0.1337188", + "0.2548741", + "0.3469709", + "0.2596675", + "0.0632032", + "-0.0019877", + "0.0021236", + "-0.0013671", + "0.0009106", + "-0.0004934", + "0.0002309", + "-0.0000803", + "0.0000182", + "-0.0000061" + ], + [ + "-0.0000012", + "-0.0000092", + "-0.0000486", + "-0.0002052", + "-0.0007470", + "-0.0024326", + "-0.0072237", + "-0.0196617", + "-0.0485775", + "-0.1050950", + "-0.1832535", + "-0.1953401", + "0.0681495", + "0.5253587", + "0.4869718", + "0.0993732", + "-0.0086184", + "0.0042354", + "-0.0018517", + "0.0005251", + "-0.0001137", + "0.0000403" + ], + [ + "0.0000005", + "0.0000041", + "0.0000217", + "0.0000917", + "0.0003344", + "0.0010884", + "0.0032421", + "0.0088470", + "0.0220949", + "0.0485937", + "0.0883421", + "0.1003315", + "-0.0409219", + "-0.4240516", + "-0.5473619", + "0.2344281", + "0.8262741", + "0.2926885", + "0.0158448", + "0.0014473", + "-0.0001768", + "-0.0000020" + ], + [ + "-0.0000002", + "-0.0000019", + "-0.0000099", + "-0.0000418", + "-0.0001526", + "-0.0004961", + "-0.0014809", + "-0.0040363", + "-0.0101243", + "-0.0222874", + "-0.0410250", + "-0.0469547", + "0.0192252", + "0.2212429", + "0.3062760", + "-0.1525634", + "-0.9100842", + "-0.2706181", + "0.8978573", + "0.5660282", + "0.0222910", + "-0.0028299" + ], + [ + "0.0000001", + "0.0000007", + "0.0000035", + "0.0000147", + "0.0000536", + "0.0001748", + "0.0005194", + "0.0014239", + "0.0035486", + "0.0078854", + "0.0143688", + "0.0168582", + "-0.0074929", + "-0.0783058", + "-0.1158107", + "0.0663401", + "0.3673518", + "0.1354316", + "-0.5704584", + "-0.5036743", + "0.8053241", + "0.5227137" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.4253824e+04", + "1.9944503e+04", + "6.4789959e+03", + "2.4811909e+03", + "1.0553710e+03", + "4.8336478e+02", + "2.3368637e+02", + "1.1739522e+02", + "6.0644868e+01", + "3.1632234e+01", + "1.6468642e+01", + "8.7314967e+00", + "4.4907264e+00", + "2.2739572e+00", + "1.1331476e+00", + "4.7585012e-01", + "2.0260758e-01", + "8.1601549e-02" + ], + "coefficients": [ + [ + "0.0000404", + "0.0003602", + "0.0020879", + "0.0092911", + "0.0334324", + "0.0972833", + "0.2184677", + "0.3458551", + "0.3216195", + "0.1344577", + "0.0159146", + "0.0008858", + "-0.0003317", + "0.0000593", + "-0.0000829", + "0.0000262", + "-0.0000113", + "0.0000033" + ], + [ + "-0.0000189", + "-0.0001685", + "-0.0009798", + "-0.0043946", + "-0.0160794", + "-0.0483637", + "-0.1143681", + "-0.1937865", + "-0.1665831", + "0.1198774", + "0.4919527", + "0.4251163", + "0.1039317", + "0.0039419", + "0.0012203", + "-0.0002908", + "0.0001046", + "-0.0000319" + ], + [ + "0.0000083", + "0.0000748", + "0.0004338", + "0.0019544", + "0.0071548", + "0.0217310", + "0.0517580", + "0.0896099", + "0.0739729", + "-0.0821129", + "-0.3359086", + "-0.3002245", + "0.2772468", + "0.6293659", + "0.3049026", + "0.0263436", + "-0.0008419", + "0.0003760" + ], + [ + "-0.0000026", + "-0.0000230", + "-0.0001328", + "-0.0006020", + "-0.0021919", + "-0.0067079", + "-0.0158894", + "-0.0278798", + "-0.0223146", + "0.0261045", + "0.1136460", + "0.0946930", + "-0.1172388", + "-0.3004950", + "-0.1228690", + "0.4053516", + "0.5655743", + "0.2243414" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.5828871e+03", + "7.8117304e+02", + "3.0506057e+02", + "1.3539201e+02", + "6.4697561e+01", + "3.2339035e+01", + "1.6524716e+01", + "8.5687077e+00", + "4.3736847e+00", + "2.1626607e+00", + "1.0316750e+00", + "4.3589724e-01" + ], + "coefficients": [ + [ + "0.0002826", + "0.0027381", + "0.0156572", + "0.0605457", + "0.1655397", + "0.3089793", + "0.3741624", + "0.2376088", + "0.0595010", + "0.0033356", + "0.0001616", + "-0.0000762" + ], + [ + "-0.0001200", + "-0.0011598", + "-0.0067064", + "-0.0261229", + "-0.0731015", + "-0.1346723", + "-0.1515294", + "0.0052318", + "0.3164462", + "0.4709544", + "0.2930790", + "0.0589701" + ] + ] + } + ] + }, + "55": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.0950927e+07", + "9.1279952e+06", + "2.0791010e+06", + "5.8966124e+05", + "1.9266100e+05", + "6.9665003e+04", + "2.7215361e+04", + "1.1308105e+04", + "4.9446244e+03", + "2.2581241e+03", + "1.0704332e+03", + "5.2348643e+02", + "2.6104420e+02", + "1.2398053e+02", + "6.4596884e+01", + "3.3510781e+01", + "1.5964740e+01", + "8.6141008e+00", + "4.2922994e+00", + "2.2500277e+00", + "1.1559611e+00", + "4.0104356e-01", + "1.7162667e-01", + "2.4375638e-02", + "1.1000848e-02" + ], + "coefficients": [ + [ + "0.0000021", + "0.0000162", + "0.0000849", + "0.0003580", + "0.0013013", + "0.0042284", + "0.0125150", + "0.0338301", + "0.0823555", + "0.1731661", + "0.2898395", + "0.3283039", + "0.1908027", + "0.0320681", + "-0.0020261", + "0.0012495", + "-0.0007831", + "0.0004793", + "-0.0002840", + "0.0001667", + "-0.0000635", + "0.0000173", + "-0.0000064", + "0.0000015", + "-0.0000008" + ], + [ + "-0.0000007", + "-0.0000053", + "-0.0000276", + "-0.0001167", + "-0.0004242", + "-0.0013844", + "-0.0041249", + "-0.0113714", + "-0.0287451", + "-0.0657414", + "-0.1287449", + "-0.1958674", + "-0.1472202", + "0.2037971", + "0.5641870", + "0.3750114", + "0.0551130", + "-0.0046331", + "0.0021593", + "-0.0012918", + "0.0004034", + "-0.0001025", + "0.0000407", + "-0.0000093", + "0.0000049" + ], + [ + "0.0000003", + "0.0000024", + "0.0000124", + "0.0000524", + "0.0001904", + "0.0006223", + "0.0018536", + "0.0051318", + "0.0130208", + "0.0302098", + "0.0604214", + "0.0967482", + "0.0778598", + "-0.1318780", + "-0.5078395", + "-0.4264636", + "0.4806639", + "0.7533775", + "0.1740470", + "-0.0006345", + "0.0031767", + "-0.0006833", + "0.0001591", + "-0.0000446", + "0.0000238" + ], + [ + "-0.0000001", + "-0.0000011", + "-0.0000057", + "-0.0000241", + "-0.0000878", + "-0.0002868", + "-0.0008553", + "-0.0023671", + "-0.0060202", + "-0.0139833", + "-0.0281679", + "-0.0454292", + "-0.0375112", + "0.0665169", + "0.2708939", + "0.2545996", + "-0.3761808", + "-0.9230730", + "0.0423758", + "0.9360876", + "0.4132323", + "0.0180818", + "-0.0017866", + "0.0004721", + "-0.0002513" + ], + [ + "0.0000001", + "0.0000004", + "0.0000021", + "0.0000090", + "0.0000327", + "0.0001064", + "0.0003188", + "0.0008776", + "0.0022468", + "0.0051808", + "0.0105543", + "0.0168070", + "0.0144021", + "-0.0260343", + "-0.1018751", + "-0.1042163", + "0.1669624", + "0.4023947", + "-0.0082333", + "-0.6893563", + "-0.4223162", + "0.8193632", + "0.5522103", + "0.0110269", + "-0.0038563" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000020", + "-0.0000074", + "-0.0000241", + "-0.0000725", + "-0.0001982", + "-0.0005116", + "-0.0011678", + "-0.0024107", + "-0.0037672", + "-0.0033667", + "0.0061634", + "0.0226120", + "0.0248978", + "-0.0410089", + "-0.0883707", + "-0.0077500", + "0.1871517", + "0.0899978", + "-0.2250846", + "-0.3729832", + "0.8517492", + "0.2992917" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.7067293e+04", + "2.0618350e+04", + "6.6986266e+03", + "2.5645865e+03", + "1.0902936e+03", + "4.9919775e+02", + "2.4146543e+02", + "1.2152398e+02", + "6.2963682e+01", + "3.2978222e+01", + "1.7270953e+01", + "9.2194601e+00", + "4.7959010e+00", + "2.4536342e+00", + "1.2402884e+00", + "5.4446248e-01", + "2.4202943e-01", + "1.0149094e-01" + ], + "coefficients": [ + [ + "0.0000408", + "0.0003632", + "0.0021055", + "0.0093769", + "0.0337688", + "0.0981833", + "0.2196537", + "0.3455941", + "0.3196004", + "0.1337655", + "0.0160738", + "0.0008867", + "-0.0003376", + "0.0000611", + "-0.0000878", + "0.0000299", + "-0.0000128", + "0.0000036" + ], + [ + "-0.0000191", + "-0.0001707", + "-0.0009927", + "-0.0044566", + "-0.0163217", + "-0.0490713", + "-0.1156484", + "-0.1947977", + "-0.1658963", + "0.1200748", + "0.4895978", + "0.4239454", + "0.1068137", + "0.0046510", + "0.0011592", + "-0.0002902", + "0.0001010", + "-0.0000291" + ], + [ + "0.0000086", + "0.0000768", + "0.0004456", + "0.0020086", + "0.0073633", + "0.0223507", + "0.0530858", + "0.0913472", + "0.0746643", + "-0.0839101", + "-0.3405722", + "-0.3051503", + "0.2709594", + "0.6316200", + "0.3085920", + "0.0285426", + "-0.0006448", + "0.0002671" + ], + [ + "-0.0000029", + "-0.0000258", + "-0.0001487", + "-0.0006742", + "-0.0024601", + "-0.0075187", + "-0.0177786", + "-0.0309750", + "-0.0245910", + "0.0292945", + "0.1260127", + "0.1056604", + "-0.1275147", + "-0.3344777", + "-0.1398473", + "0.4313088", + "0.5871887", + "0.1818835" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.8182001e+03", + "8.5240724e+02", + "3.3288599e+02", + "1.4785298e+02", + "7.0737000e+01", + "3.5446840e+01", + "1.8170156e+01", + "9.4664254e+00", + "4.8675615e+00", + "2.4306838e+00", + "1.1751160e+00", + "5.0971755e-01" + ], + "coefficients": [ + [ + "0.0002565", + "0.0024961", + "0.0143942", + "0.0563892", + "0.1568209", + "0.2996369", + "0.3744787", + "0.2502795", + "0.0677925", + "0.0043398", + "0.0001724", + "-0.0000838" + ], + [ + "-0.0001116", + "-0.0010832", + "-0.0063182", + "-0.0249195", + "-0.0709691", + "-0.1342576", + "-0.1573993", + "-0.0112098", + "0.3032377", + "0.4751222", + "0.3026675", + "0.0617936" + ] + ] + } + ] + }, + "56": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.1499453e+07", + "1.0717406e+07", + "2.4408109e+06", + "6.9209722e+05", + "2.2593169e+05", + "8.1569787e+04", + "3.1803310e+04", + "1.3185095e+04", + "5.7516947e+03", + "2.6191607e+03", + "1.2369060e+03", + "6.0200359e+02", + "2.9852039e+02", + "1.4313636e+02", + "7.4811808e+01", + "3.8707454e+01", + "1.8699485e+01", + "1.0350772e+01", + "5.4609310e+00", + "2.7297672e+00", + "1.3875116e+00", + "4.7737560e-01", + "2.1865844e-01", + "4.1860229e-02", + "1.8105680e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000138", + "0.0000727", + "0.0003067", + "0.0011175", + "0.0036434", + "0.0108364", + "0.0295146", + "0.0727761", + "0.1567222", + "0.2737247", + "0.3344139", + "0.2198659", + "0.0455853", + "-0.0020525", + "0.0016779", + "-0.0010911", + "0.0007147", + "-0.0004015", + "0.0002036", + "-0.0000797", + "0.0000246", + "-0.0000105", + "0.0000026", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000237", + "-0.0001001", + "-0.0003647", + "-0.0011933", + "-0.0035718", + "-0.0098957", + "-0.0252530", + "-0.0586114", + "-0.1181964", + "-0.1894825", + "-0.1708729", + "0.1286327", + "0.5377078", + "0.4410084", + "0.0848220", + "-0.0063425", + "0.0032845", + "-0.0015945", + "0.0004943", + "-0.0001444", + "0.0000655", + "-0.0000159", + "0.0000074" + ], + [ + "0.0000003", + "0.0000020", + "0.0000107", + "0.0000451", + "0.0001643", + "0.0005382", + "0.0016109", + "0.0044786", + "0.0114724", + "0.0269592", + "0.0554552", + "0.0930721", + "0.0898590", + "-0.0810017", + "-0.4568728", + "-0.5089113", + "0.2891101", + "0.8018604", + "0.2832350", + "0.0165917", + "0.0015300", + "-0.0002848", + "0.0000172", + "-0.0000154", + "0.0000070" + ], + [ + "-0.0000001", + "-0.0000009", + "-0.0000050", + "-0.0000210", + "-0.0000765", + "-0.0002508", + "-0.0007505", + "-0.0020892", + "-0.0053524", + "-0.0126220", + "-0.0260490", + "-0.0442216", + "-0.0432660", + "0.0403219", + "0.2455004", + "0.2969429", + "-0.2050836", + "-0.9265608", + "-0.2559425", + "0.9034180", + "0.5711379", + "0.0309368", + "-0.0042341", + "0.0009758", + "-0.0004385" + ], + [ + "0.0000000", + "0.0000004", + "0.0000019", + "0.0000082", + "0.0000299", + "0.0000978", + "0.0002935", + "0.0008138", + "0.0020953", + "0.0049156", + "0.0102288", + "0.0172235", + "0.0172624", + "-0.0166209", + "-0.0972829", + "-0.1251425", + "0.0959003", + "0.4260899", + "0.1390659", + "-0.6459618", + "-0.6178991", + "0.7820598", + "0.6235754", + "0.0166182", + "-0.0050988" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000023", + "-0.0000082", + "-0.0000269", + "-0.0000809", + "-0.0002238", + "-0.0005780", + "-0.0013510", + "-0.0028253", + "-0.0047264", + "-0.0048037", + "0.0047020", + "0.0266461", + "0.0352598", + "-0.0281351", + "-0.1180665", + "-0.0441017", + "0.2016567", + "0.1922901", + "-0.3012809", + "-0.4601791", + "0.7436669", + "0.4663466" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.5598748e+04", + "2.2631767e+04", + "7.3535390e+03", + "2.8166312e+03", + "1.1984517e+03", + "5.4922731e+02", + "2.6589659e+02", + "1.3389949e+02", + "6.9439929e+01", + "3.6462451e+01", + "1.9070599e+01", + "1.0187967e+01", + "5.3232676e+00", + "2.7355332e+00", + "1.3912554e+00", + "6.2051999e-01", + "2.8359367e-01", + "1.1890989e-01" + ], + "coefficients": [ + [ + "0.0000370", + "0.0003296", + "0.0019124", + "0.0085338", + "0.0308673", + "0.0906685", + "0.2069294", + "0.3369333", + "0.3298796", + "0.1509634", + "0.0211863", + "0.0008108", + "-0.0002065", + "-0.0000077", + "-0.0000627", + "0.0000197", + "-0.0000085", + "0.0000023" + ], + [ + "-0.0000174", + "-0.0001556", + "-0.0009056", + "-0.0040710", + "-0.0149657", + "-0.0453770", + "-0.1089647", + "-0.1897941", + "-0.1783526", + "0.0855161", + "0.4701925", + "0.4499001", + "0.1258555", + "0.0064191", + "0.0012723", + "-0.0003331", + "0.0001168", + "-0.0000302" + ], + [ + "0.0000079", + "0.0000708", + "0.0004117", + "0.0018577", + "0.0068373", + "0.0209175", + "0.0506349", + "0.0900137", + "0.0825182", + "-0.0652741", + "-0.3286178", + "-0.3376510", + "0.2259084", + "0.6393862", + "0.3365024", + "0.0337487", + "-0.0009297", + "0.0002230" + ], + [ + "-0.0000028", + "-0.0000254", + "-0.0001469", + "-0.0006664", + "-0.0024410", + "-0.0075196", + "-0.0181229", + "-0.0326146", + "-0.0291968", + "0.0244852", + "0.1300988", + "0.1274174", + "-0.1177135", + "-0.3643391", + "-0.1743543", + "0.4526489", + "0.6051904", + "0.1554251" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.0478095e+03", + "9.2216800e+02", + "3.6029090e+02", + "1.6021327e+02", + "7.6773794e+01", + "3.8570142e+01", + "1.9832564e+01", + "1.0377303e+01", + "5.3719532e+00", + "2.7068545e+00", + "1.3245804e+00", + "5.8812118e-01" + ], + "coefficients": [ + [ + "0.0002369", + "0.0023115", + "0.0134061", + "0.0530294", + "0.1494825", + "0.2913048", + "0.3738837", + "0.2608879", + "0.0755173", + "0.0054310", + "0.0001770", + "-0.0000880" + ], + [ + "-0.0001054", + "-0.0010257", + "-0.0060183", + "-0.0239605", + "-0.0691859", + "-0.1338552", + "-0.1623009", + "-0.0253387", + "0.2911366", + "0.4782655", + "0.3112270", + "0.0642164" + ] + ] + } + ] + }, + "57": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.0186142e+07", + "1.0510137e+07", + "2.3929919e+06", + "6.7845569e+05", + "2.2164324e+05", + "8.0161530e+04", + "3.1334378e+04", + "1.3031628e+04", + "5.7052773e+03", + "2.6087138e+03", + "1.2375055e+03", + "6.0507782e+02", + "3.0141621e+02", + "1.4475440e+02", + "7.5861960e+01", + "3.9415460e+01", + "1.9103457e+01", + "1.0599074e+01", + "5.6003048e+00", + "2.8449390e+00", + "1.4680350e+00", + "5.3533528e-01", + "2.4656415e-01", + "4.9184948e-02", + "2.0790227e-02" + ], + "coefficients": [ + [ + "0.0000019", + "0.0000148", + "0.0000779", + "0.0003287", + "0.0011949", + "0.0038819", + "0.0114892", + "0.0310949", + "0.0760198", + "0.1617589", + "0.2779136", + "0.3317242", + "0.2112819", + "0.0418471", + "-0.0020589", + "0.0015762", + "-0.0010343", + "0.0006818", + "-0.0003922", + "0.0002077", + "-0.0000839", + "0.0000264", + "-0.0000108", + "0.0000026", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000048", + "-0.0000254", + "-0.0001073", + "-0.0003905", + "-0.0012733", + "-0.0037935", + "-0.0104527", + "-0.0264821", + "-0.0609086", + "-0.1213161", + "-0.1911334", + "-0.1648042", + "0.1459051", + "0.5428853", + "0.4270013", + "0.0788920", + "-0.0061125", + "0.0031142", + "-0.0015914", + "0.0005124", + "-0.0001509", + "0.0000658", + "-0.0000154", + "0.0000069" + ], + [ + "0.0000003", + "0.0000022", + "0.0000115", + "0.0000485", + "0.0001765", + "0.0005763", + "0.0017170", + "0.0047482", + "0.0120775", + "0.0281389", + "0.0572092", + "0.0944894", + "0.0873130", + "-0.0931579", + "-0.4700104", + "-0.4962848", + "0.3245389", + "0.7934506", + "0.2670207", + "0.0144270", + "0.0017519", + "-0.0003837", + "0.0000398", + "-0.0000213", + "0.0000093" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000054", + "-0.0000228", + "-0.0000830", + "-0.0002712", + "-0.0008078", + "-0.0022360", + "-0.0056916", + "-0.0133007", + "-0.0271581", + "-0.0453373", + "-0.0425770", + "0.0472181", + "0.2556809", + "0.2954375", + "-0.2406495", + "-0.9433846", + "-0.2178389", + "0.9211744", + "0.5506535", + "0.0308165", + "-0.0034914", + "0.0008236", + "-0.0003537" + ], + [ + "0.0000001", + "0.0000004", + "0.0000022", + "0.0000092", + "0.0000334", + "0.0001089", + "0.0003257", + "0.0008978", + "0.0022972", + "0.0053391", + "0.0109980", + "0.0181991", + "0.0175500", + "-0.0200402", + "-0.1045380", + "-0.1291273", + "0.1165648", + "0.4495729", + "0.1275213", + "-0.7008728", + "-0.6266462", + "0.8092592", + "0.6293822", + "0.0178624", + "-0.0051181" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000026", + "-0.0000095", + "-0.0000307", + "-0.0000921", + "-0.0002534", + "-0.0006497", + "-0.0015061", + "-0.0031135", + "-0.0051287", + "-0.0049981", + "0.0057644", + "0.0294695", + "0.0372115", + "-0.0345626", + "-0.1289226", + "-0.0412195", + "0.2250417", + "0.2044991", + "-0.3354359", + "-0.4592255", + "0.7200829", + "0.4963833" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.0091349e+05", + "2.3886279e+04", + "7.7601591e+03", + "2.9730776e+03", + "1.2656329e+03", + "5.8029104e+02", + "2.8100670e+02", + "1.4151442e+02", + "7.3405320e+01", + "3.8584268e+01", + "2.0207737e+01", + "1.0823484e+01", + "5.6839274e+00", + "2.9360304e+00", + "1.5059248e+00", + "6.8580967e-01", + "3.1684030e-01", + "1.3290880e-01" + ], + "coefficients": [ + [ + "0.0000359", + "0.0003200", + "0.0018571", + "0.0082893", + "0.0300157", + "0.0884529", + "0.2032323", + "0.3344031", + "0.3326358", + "0.1559462", + "0.0227731", + "0.0008039", + "-0.0001809", + "-0.0000238", + "-0.0000578", + "0.0000184", + "-0.0000074", + "0.0000020" + ], + [ + "-0.0000170", + "-0.0001516", + "-0.0008831", + "-0.0039706", + "-0.0146103", + "-0.0444240", + "-0.1073699", + "-0.1889820", + "-0.1821037", + "0.0763714", + "0.4649166", + "0.4555234", + "0.1315794", + "0.0071905", + "0.0012508", + "-0.0003407", + "0.0001095", + "-0.0000296" + ], + [ + "0.0000078", + "0.0000699", + "0.0004063", + "0.0018335", + "0.0067553", + "0.0207214", + "0.0504991", + "0.0906997", + "0.0855799", + "-0.0611227", + "-0.3295604", + "-0.3484501", + "0.2158850", + "0.6446119", + "0.3404649", + "0.0345520", + "-0.0007149", + "0.0001951" + ], + [ + "-0.0000029", + "-0.0000261", + "-0.0001507", + "-0.0006838", + "-0.0025077", + "-0.0077453", + "-0.0187965", + "-0.0341739", + "-0.0315323", + "0.0239627", + "0.1360837", + "0.1375472", + "-0.1192188", + "-0.3880431", + "-0.1843600", + "0.4759317", + "0.6023359", + "0.1459321" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.7248915e+03", + "1.1278604e+03", + "4.4102269e+02", + "1.9670910e+02", + "9.4743542e+01", + "4.8030927e+01", + "2.5001498e+01", + "1.3297299e+01", + "7.0684485e+00", + "3.6875597e+00", + "1.9001356e+00", + "9.3888772e-01", + "4.0243974e-01", + "1.6495417e-01", + "6.2282476e-02" + ], + "coefficients": [ + [ + "0.0001666", + "0.0016424", + "0.0097306", + "0.0399084", + "0.1182316", + "0.2490055", + "0.3572552", + "0.3069684", + "0.1241396", + "0.0168263", + "0.0004686", + "-0.0000701", + "-0.0000086", + "-0.0000073", + "0.0000011" + ], + [ + "-0.0000757", + "-0.0007441", + "-0.0044535", + "-0.0183730", + "-0.0556355", + "-0.1176436", + "-0.1632736", + "-0.0912030", + "0.1826763", + "0.4377944", + "0.3910637", + "0.1391094", + "0.0120796", + "-0.0002146", + "0.0001317" + ], + [ + "0.0000199", + "0.0001972", + "0.0011763", + "0.0048784", + "0.0147542", + "0.0313708", + "0.0430254", + "0.0219000", + "-0.0621832", + "-0.1349980", + "-0.1234473", + "0.1079313", + "0.4216242", + "0.4801660", + "0.2116480" + ] + ] + } + ] + }, + "58": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.1514624e+07", + "1.0708375e+07", + "2.4379817e+06", + "6.9081472e+05", + "2.2550921e+05", + "8.1479950e+04", + "3.1817639e+04", + "1.3218900e+04", + "5.7810928e+03", + "2.6407270e+03", + "1.2519100e+03", + "6.1223120e+02", + "3.0533720e+02", + "1.4648474e+02", + "7.6812579e+01", + "4.0008503e+01", + "1.9416079e+01", + "1.0742454e+01", + "5.6435910e+00", + "2.9023540e+00", + "1.5022858e+00", + "5.5618341e-01", + "2.5410665e-01", + "4.9779492e-02", + "2.0976188e-02" + ], + "coefficients": [ + [ + "0.0000019", + "0.0000151", + "0.0000795", + "0.0003358", + "0.0012224", + "0.0039765", + "0.0117813", + "0.0319052", + "0.0779705", + "0.1654272", + "0.2819167", + "0.3307568", + "0.2046235", + "0.0386413", + "-0.0020583", + "0.0014749", + "-0.0009647", + "0.0006299", + "-0.0003668", + "0.0001996", + "-0.0000805", + "0.0000250", + "-0.0000099", + "0.0000024", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000049", + "-0.0000260", + "-0.0001098", + "-0.0004000", + "-0.0013061", + "-0.0038954", + "-0.0107456", + "-0.0272325", + "-0.0625807", + "-0.1240360", + "-0.1931562", + "-0.1598002", + "0.1631196", + "0.5491739", + "0.4122511", + "0.0719677", + "-0.0056497", + "0.0027953", + "-0.0014881", + "0.0004796", + "-0.0001387", + "0.0000591", + "-0.0000136", + "0.0000061" + ], + [ + "0.0000003", + "0.0000022", + "0.0000118", + "0.0000498", + "0.0001814", + "0.0005931", + "0.0017690", + "0.0048981", + "0.0124638", + "0.0290250", + "0.0587552", + "0.0960429", + "0.0852378", + "-0.1055611", + "-0.4847796", + "-0.4817150", + "0.3706971", + "0.7849223", + "0.2421248", + "0.0106065", + "0.0020816", + "-0.0004770", + "0.0000747", + "-0.0000285", + "0.0000126" + ], + [ + "-0.0000001", + "-0.0000011", + "-0.0000056", + "-0.0000235", + "-0.0000857", + "-0.0002801", + "-0.0008358", + "-0.0023154", + "-0.0058992", + "-0.0137721", + "-0.0280263", + "-0.0462663", + "-0.0418603", + "0.0541101", + "0.2654424", + "0.2911494", + "-0.2863927", + "-0.9561471", + "-0.1484456", + "0.9386999", + "0.5133090", + "0.0277457", + "-0.0028022", + "0.0006890", + "-0.0002976" + ], + [ + "0.0000001", + "0.0000004", + "0.0000022", + "0.0000094", + "0.0000344", + "0.0001120", + "0.0003355", + "0.0009256", + "0.0023707", + "0.0055036", + "0.0113021", + "0.0184868", + "0.0172078", + "-0.0228298", + "-0.1080924", + "-0.1272972", + "0.1381081", + "0.4545433", + "0.0913869", + "-0.7259207", + "-0.5834888", + "0.8156519", + "0.6211377", + "0.0170570", + "-0.0049558" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000026", + "-0.0000095", + "-0.0000310", + "-0.0000931", + "-0.0002563", + "-0.0006580", + "-0.0015236", + "-0.0031400", + "-0.0051129", + "-0.0048109", + "0.0064347", + "0.0299086", + "0.0360230", + "-0.0400387", + "-0.1279297", + "-0.0300784", + "0.2290387", + "0.1858321", + "-0.3280829", + "-0.4491647", + "0.7177469", + "0.4933443" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.7331777e+04", + "2.3048308e+04", + "7.4931761e+03", + "2.8738294e+03", + "1.2253557e+03", + "5.6316868e+02", + "2.7352699e+02", + "1.3821707e+02", + "7.1901523e+01", + "3.7855977e+01", + "1.9964978e+01", + "1.0743170e+01", + "5.6597884e+00", + "2.9358450e+00", + "1.5102894e+00", + "6.9763587e-01", + "3.2217537e-01", + "1.3536459e-01" + ], + "coefficients": [ + [ + "0.0000407", + "0.0003624", + "0.0020970", + "0.0093048", + "0.0333520", + "0.0966179", + "0.2162355", + "0.3423712", + "0.3214213", + "0.1384273", + "0.0174749", + "0.0008806", + "-0.0003438", + "0.0000628", + "-0.0000921", + "0.0000346", + "-0.0000138", + "0.0000036" + ], + [ + "-0.0000193", + "-0.0001725", + "-0.0010016", + "-0.0044802", + "-0.0163340", + "-0.0489274", + "-0.1153924", + "-0.1956560", + "-0.1707904", + "0.1116359", + "0.4869416", + "0.4280732", + "0.1118579", + "0.0054463", + "0.0010936", + "-0.0002975", + "0.0000912", + "-0.0000242" + ], + [ + "0.0000089", + "0.0000799", + "0.0004631", + "0.0020795", + "0.0075918", + "0.0229589", + "0.0546093", + "0.0946037", + "0.0795741", + "-0.0828561", + "-0.3533225", + "-0.3192638", + "0.2712233", + "0.6417660", + "0.3041974", + "0.0283243", + "-0.0001740", + "0.0000761" + ], + [ + "-0.0000033", + "-0.0000296", + "-0.0001707", + "-0.0007704", + "-0.0028011", + "-0.0085262", + "-0.0202068", + "-0.0354266", + "-0.0290191", + "0.0323084", + "0.1454419", + "0.1232202", + "-0.1456944", + "-0.3899320", + "-0.1468462", + "0.4906720", + "0.5865461", + "0.1388740" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.0006150e+03", + "1.2122120e+03", + "4.7445884e+02", + "2.1187920e+02", + "1.0215267e+02", + "5.1813261e+01", + "2.6976630e+01", + "1.4343849e+01", + "7.6267552e+00", + "3.9839275e+00", + "2.0541875e+00", + "1.0168576e+00", + "4.3984677e-01", + "1.8181736e-01", + "6.9054176e-02" + ], + "coefficients": [ + [ + "0.0001556", + "0.0015352", + "0.0091198", + "0.0376871", + "0.1130338", + "0.2425569", + "0.3554760", + "0.3138031", + "0.1307915", + "0.0185536", + "0.0006121", + "-0.0000391", + "0.0000032", + "-0.0000003", + "0.0000042" + ], + [ + "-0.0000713", + "-0.0007015", + "-0.0042090", + "-0.0174973", + "-0.0536186", + "-0.1157603", + "-0.1645211", + "-0.0987403", + "0.1732768", + "0.4346475", + "0.3968024", + "0.1452745", + "0.0135396", + "-0.0001876", + "0.0001327" + ], + [ + "0.0000195", + "0.0001930", + "0.0011542", + "0.0048230", + "0.0147637", + "0.0320507", + "0.0450618", + "0.0249993", + "-0.0619480", + "-0.1402917", + "-0.1297840", + "0.1070858", + "0.4259206", + "0.4793719", + "0.2052181" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.6241257e+02", + "9.0946274e+01", + "3.8728614e+01", + "1.7886123e+01", + "8.6853948e+00", + "4.2933735e+00", + "2.1037318e+00", + "1.0021330e+00", + "4.5119561e-01", + "1.8227165e-01" + ], + "coefficients": [ + [ + "0.0006486", + "0.0057657", + "0.0273319", + "0.0834681", + "0.1865441", + "0.2900427", + "0.3335844", + "0.2795747", + "0.1614346", + "0.0462115" + ] + ] + } + ] + }, + "59": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.9206623e+07", + "1.1859245e+07", + "2.7001994e+06", + "7.6557854e+05", + "2.5007666e+05", + "9.0402116e+04", + "3.5321492e+04", + "1.4686131e+04", + "6.4256615e+03", + "2.9330925e+03", + "1.3870211e+03", + "6.7517363e+02", + "3.3458979e+02", + "1.6028043e+02", + "8.3817488e+01", + "4.3387484e+01", + "2.0944512e+01", + "1.1619047e+01", + "6.1152384e+00", + "3.0929684e+00", + "1.5732921e+00", + "5.4295166e-01", + "2.4459496e-01", + "4.4965643e-02", + "1.9220690e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000731", + "0.0003081", + "0.0011209", + "0.0036460", + "0.0108033", + "0.0293023", + "0.0720488", + "0.1551321", + "0.2719380", + "0.3348225", + "0.2225945", + "0.0467461", + "-0.0021712", + "0.0017482", + "-0.0011434", + "0.0007582", + "-0.0004280", + "0.0002192", + "-0.0000846", + "0.0000253", + "-0.0000105", + "0.0000026", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000239", + "-0.0001009", + "-0.0003672", + "-0.0011985", + "-0.0035739", + "-0.0098601", + "-0.0250860", + "-0.0581851", + "-0.1176339", + "-0.1897376", + "-0.1733515", + "0.1259336", + "0.5387598", + "0.4434317", + "0.0843581", + "-0.0068080", + "0.0033723", + "-0.0016456", + "0.0005124", + "-0.0001444", + "0.0000632", + "-0.0000151", + "0.0000071" + ], + [ + "0.0000003", + "0.0000021", + "0.0000109", + "0.0000459", + "0.0001670", + "0.0005460", + "0.0016279", + "0.0045076", + "0.0115100", + "0.0270364", + "0.0557458", + "0.0941844", + "0.0921433", + "-0.0804231", + "-0.4649253", + "-0.5180235", + "0.3116125", + "0.8055940", + "0.2693975", + "0.0139861", + "0.0017895", + "-0.0003408", + "0.0000454", + "-0.0000209", + "0.0000096" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000051", + "-0.0000217", + "-0.0000788", + "-0.0002577", + "-0.0007682", + "-0.0021292", + "-0.0054399", + "-0.0128179", + "-0.0265351", + "-0.0453203", + "-0.0450376", + "0.0408061", + "0.2536438", + "0.3096279", + "-0.2346591", + "-0.9592054", + "-0.2055741", + "0.9260249", + "0.5418513", + "0.0282633", + "-0.0036051", + "0.0008433", + "-0.0003830" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000305", + "0.0000995", + "0.0002977", + "0.0008218", + "0.0021108", + "0.0049455", + "0.0103295", + "0.0174869", + "0.0178252", + "-0.0167351", + "-0.0996112", + "-0.1298195", + "0.1095757", + "0.4377720", + "0.1140428", + "-0.6705159", + "-0.5746100", + "0.7844274", + "0.6135331", + "0.0158578", + "-0.0049791" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000022", + "-0.0000081", + "-0.0000263", + "-0.0000789", + "-0.0002173", + "-0.0005599", + "-0.0013069", + "-0.0027434", + "-0.0046144", + "-0.0047683", + "0.0045521", + "0.0262381", + "0.0351564", + "-0.0307632", + "-0.1166092", + "-0.0355021", + "0.2006108", + "0.1706134", + "-0.2843557", + "-0.4416555", + "0.7358201", + "0.4632399" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.0656590e+05", + "2.5216908e+04", + "8.1892729e+03", + "3.1354344e+03", + "1.3337131e+03", + "6.1111844e+02", + "2.9581205e+02", + "1.4895495e+02", + "7.7251394e+01", + "4.0594287e+01", + "2.1323141e+01", + "1.1431049e+01", + "5.9857854e+00", + "3.0839630e+00", + "1.5681724e+00", + "7.0083458e-01", + "3.1783190e-01", + "1.3286923e-01" + ], + "coefficients": [ + [ + "0.0000370", + "0.0003299", + "0.0019162", + "0.0085606", + "0.0310035", + "0.0911795", + "0.2083002", + "0.3386880", + "0.3292822", + "0.1481911", + "0.0199374", + "0.0008245", + "-0.0002698", + "0.0000281", + "-0.0000728", + "0.0000253", + "-0.0000106", + "0.0000028" + ], + [ + "-0.0000176", + "-0.0001576", + "-0.0009187", + "-0.0041356", + "-0.0152264", + "-0.0462456", + "-0.1112637", + "-0.1937250", + "-0.1794409", + "0.0945874", + "0.4822537", + "0.4409125", + "0.1170597", + "0.0055666", + "0.0012216", + "-0.0002990", + "0.0001081", + "-0.0000278" + ], + [ + "0.0000081", + "0.0000729", + "0.0004242", + "0.0019170", + "0.0070658", + "0.0216633", + "0.0525569", + "0.0934885", + "0.0841818", + "-0.0728784", + "-0.3487035", + "-0.3300008", + "0.2632810", + "0.6414038", + "0.3115669", + "0.0290005", + "-0.0005654", + "0.0001608" + ], + [ + "-0.0000029", + "-0.0000258", + "-0.0001492", + "-0.0006778", + "-0.0024871", + "-0.0076775", + "-0.0185504", + "-0.0334018", + "-0.0293603", + "0.0270695", + "0.1365912", + "0.1218456", + "-0.1345025", + "-0.3644984", + "-0.1446421", + "0.4598651", + "0.5922113", + "0.1537046" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.4516198e+03", + "1.0446817e+03", + "4.0836052e+02", + "1.8176078e+02", + "8.7246882e+01", + "4.3937070e+01", + "2.2680451e+01", + "1.1918853e+01", + "6.2001484e+00", + "3.1377274e+00", + "1.5372067e+00", + "6.7860123e-01" + ], + "coefficients": [ + [ + "0.0002356", + "0.0023035", + "0.0133985", + "0.0532371", + "0.1506132", + "0.2939414", + "0.3749324", + "0.2563727", + "0.0720795", + "0.0052312", + "0.0002867", + "-0.0000302" + ], + [ + "-0.0001078", + "-0.0010512", + "-0.0061853", + "-0.0247591", + "-0.0717780", + "-0.1392733", + "-0.1668090", + "-0.0169972", + "0.3067935", + "0.4782222", + "0.2971227", + "0.0580380" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.5137442e+02", + "8.7158035e+01", + "3.7176532e+01", + "1.7177622e+01", + "8.3636705e+00", + "4.1324990e+00", + "2.0219087e+00", + "9.6030077e-01", + "4.3084709e-01", + "1.7416836e-01" + ], + "coefficients": [ + [ + "0.0008018", + "0.0069690", + "0.0317536", + "0.0939322", + "0.1991857", + "0.2943061", + "0.3262074", + "0.2692090", + "0.1576967", + "0.0474433" + ] + ] + } + ] + }, + "60": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.2701263e+07", + "1.2381001e+07", + "2.8173113e+06", + "7.9816026e+05", + "2.6055610e+05", + "9.4160178e+04", + "3.6767804e+04", + "1.5268102e+04", + "6.6686791e+03", + "3.0386370e+03", + "1.4349034e+03", + "6.9787274e+02", + "3.4571431e+02", + "1.6555098e+02", + "8.6605254e+01", + "4.4865768e+01", + "2.1669487e+01", + "1.2023141e+01", + "6.3207813e+00", + "3.2078220e+00", + "1.6317112e+00", + "5.6288687e-01", + "2.5236392e-01", + "4.5901746e-02", + "1.9550884e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000137", + "0.0000723", + "0.0003053", + "0.0011112", + "0.0036157", + "0.0107299", + "0.0291781", + "0.0719445", + "0.1552422", + "0.2723753", + "0.3351483", + "0.2223254", + "0.0464800", + "-0.0021992", + "0.0017454", + "-0.0011409", + "0.0007563", + "-0.0004272", + "0.0002195", + "-0.0000842", + "0.0000250", + "-0.0000102", + "0.0000025", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000237", + "-0.0001001", + "-0.0003644", + "-0.0011899", + "-0.0035534", + "-0.0098284", + "-0.0250743", + "-0.0582885", + "-0.1179791", + "-0.1902841", + "-0.1733678", + "0.1278337", + "0.5400327", + "0.4418379", + "0.0832294", + "-0.0068188", + "0.0033349", + "-0.0016333", + "0.0005083", + "-0.0001417", + "0.0000615", + "-0.0000147", + "0.0000069" + ], + [ + "0.0000003", + "0.0000021", + "0.0000108", + "0.0000457", + "0.0001663", + "0.0005437", + "0.0016234", + "0.0045066", + "0.0115391", + "0.0271677", + "0.0560861", + "0.0947844", + "0.0925013", + "-0.0821026", + "-0.4692181", + "-0.5183406", + "0.3235437", + "0.8051283", + "0.2629470", + "0.0129539", + "0.0018686", + "-0.0003577", + "0.0000543", + "-0.0000226", + "0.0000105" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000051", + "-0.0000216", + "-0.0000787", + "-0.0002574", + "-0.0007684", + "-0.0021350", + "-0.0054705", + "-0.0129180", + "-0.0267836", + "-0.0457467", + "-0.0453910", + "0.0418951", + "0.2570342", + "0.3120488", + "-0.2483999", + "-0.9672948", + "-0.1837314", + "0.9315997", + "0.5307583", + "0.0272809", + "-0.0034262", + "0.0008059", + "-0.0003670" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000083", + "0.0000303", + "0.0000989", + "0.0002964", + "0.0008201", + "0.0021128", + "0.0049606", + "0.0103780", + "0.0175678", + "0.0178871", + "-0.0171068", + "-0.1004771", + "-0.1303997", + "0.1155671", + "0.4394706", + "0.1027183", + "-0.6752068", + "-0.5588103", + "0.7841804", + "0.6099484", + "0.0156748", + "-0.0049493" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000022", + "-0.0000080", + "-0.0000259", + "-0.0000777", + "-0.0002145", + "-0.0005545", + "-0.0012970", + "-0.0027268", + "-0.0045867", + "-0.0047333", + "0.0046003", + "0.0261876", + "0.0349310", + "-0.0320235", + "-0.1158150", + "-0.0319757", + "0.1995463", + "0.1638712", + "-0.2797108", + "-0.4361075", + "0.7335592", + "0.4625870" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.0876943e+05", + "2.5746549e+04", + "8.3669875e+03", + "3.2064822e+03", + "1.3652695e+03", + "6.2614767e+02", + "3.0333514e+02", + "1.5287220e+02", + "7.9349050e+01", + "4.1731231e+01", + "2.1971470e+01", + "1.1796895e+01", + "6.1836967e+00", + "3.1881096e+00", + "1.6206620e+00", + "7.2462195e-01", + "3.2787401e-01", + "1.3691505e-01" + ], + "coefficients": [ + [ + "0.0000379", + "0.0003380", + "0.0019594", + "0.0087330", + "0.0315491", + "0.0925068", + "0.2104802", + "0.3400977", + "0.3273860", + "0.1451156", + "0.0189616", + "0.0008405", + "-0.0003024", + "0.0000466", + "-0.0000787", + "0.0000282", + "-0.0000118", + "0.0000031" + ], + [ + "-0.0000182", + "-0.0001621", + "-0.0009431", + "-0.0042357", + "-0.0155595", + "-0.0471365", + "-0.1130069", + "-0.1956058", + "-0.1780268", + "0.1016770", + "0.4877848", + "0.4348827", + "0.1126039", + "0.0052260", + "0.0011822", + "-0.0002818", + "0.0001024", + "-0.0000262" + ], + [ + "0.0000084", + "0.0000752", + "0.0004370", + "0.0019708", + "0.0072480", + "0.0221690", + "0.0536030", + "0.0948216", + "0.0836444", + "-0.0778199", + "-0.3563786", + "-0.3231987", + "0.2787210", + "0.6401270", + "0.3020130", + "0.0273260", + "-0.0004564", + "0.0001378" + ], + [ + "-0.0000029", + "-0.0000264", + "-0.0001527", + "-0.0006921", + "-0.0025343", + "-0.0078039", + "-0.0187953", + "-0.0336537", + "-0.0289603", + "0.0287419", + "0.1388015", + "0.1179576", + "-0.1409144", + "-0.3624303", + "-0.1339162", + "0.4614831", + "0.5878914", + "0.1532243" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.5863433e+03", + "1.0856424e+03", + "4.2454379e+02", + "1.8906045e+02", + "9.0818730e+01", + "4.5783606e+01", + "2.3670967e+01", + "1.2459850e+01", + "6.4924247e+00", + "3.2894918e+00", + "1.6117875e+00", + "7.1043267e-01" + ], + "coefficients": [ + [ + "0.0002360", + "0.0023075", + "0.0134229", + "0.0533705", + "0.1510472", + "0.2946775", + "0.3749505", + "0.2549776", + "0.0712401", + "0.0052260", + "0.0003220", + "-0.0000148" + ], + [ + "-0.0001087", + "-0.0010603", + "-0.0062394", + "-0.0250009", + "-0.0725108", + "-0.1407061", + "-0.1677641", + "-0.0145812", + "0.3102713", + "0.4775323", + "0.2942601", + "0.0570102" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.6426725e+02", + "9.1737706e+01", + "3.9188312e+01", + "1.8158696e+01", + "8.8710647e+00", + "4.4003548e+00", + "2.1617250e+00", + "1.0307023e+00", + "4.6399351e-01", + "1.8828814e-01" + ], + "coefficients": [ + [ + "0.0008177", + "0.0071240", + "0.0325511", + "0.0961526", + "0.2024713", + "0.2963500", + "0.3248015", + "0.2650474", + "0.1534586", + "0.0456250" + ] + ] + } + ] + }, + "61": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.4704848e+07", + "1.2683028e+07", + "2.8876860e+06", + "8.1847872e+05", + "2.6731357e+05", + "9.6656708e+04", + "3.7776428e+04", + "1.5706356e+04", + "6.8692816e+03", + "3.1338307e+03", + "1.4812067e+03", + "7.2078744e+02", + "3.5715564e+02", + "1.7095019e+02", + "8.9461633e+01", + "4.6370738e+01", + "2.2393139e+01", + "1.2421729e+01", + "6.5189023e+00", + "3.3203053e+00", + "1.6889999e+00", + "5.8280273e-01", + "2.6008770e-01", + "4.6827805e-02", + "1.9877285e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000730", + "0.0003083", + "0.0011212", + "0.0036447", + "0.0107974", + "0.0293022", + "0.0721143", + "0.1553813", + "0.2723895", + "0.3350058", + "0.2220864", + "0.0463120", + "-0.0022512", + "0.0017570", + "-0.0011479", + "0.0007617", + "-0.0004311", + "0.0002226", + "-0.0000851", + "0.0000251", + "-0.0000102", + "0.0000025", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000239", + "-0.0001011", + "-0.0003681", + "-0.0012008", + "-0.0035800", + "-0.0098829", + "-0.0251679", + "-0.0584321", + "-0.1181869", + "-0.1905805", + "-0.1733692", + "0.1294269", + "0.5413089", + "0.4404985", + "0.0820940", + "-0.0068653", + "0.0033143", + "-0.0016308", + "0.0005083", + "-0.0001404", + "0.0000604", + "-0.0000144", + "0.0000068" + ], + [ + "0.0000003", + "0.0000021", + "0.0000110", + "0.0000463", + "0.0001684", + "0.0005502", + "0.0016402", + "0.0045449", + "0.0116157", + "0.0273174", + "0.0563561", + "0.0952537", + "0.0928250", + "-0.0835578", + "-0.4734122", + "-0.5186904", + "0.3362268", + "0.8044764", + "0.2558748", + "0.0118236", + "0.0019552", + "-0.0003763", + "0.0000634", + "-0.0000244", + "0.0000113" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000052", + "-0.0000220", + "-0.0000799", + "-0.0002611", + "-0.0007785", + "-0.0021587", + "-0.0055221", + "-0.0130229", + "-0.0269908", + "-0.0460954", + "-0.0457133", + "0.0428632", + "0.2602705", + "0.3143800", + "-0.2630355", + "-0.9745133", + "-0.1602913", + "0.9365802", + "0.5190785", + "0.0262750", + "-0.0032385", + "0.0007665", + "-0.0003498" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000307", + "0.0000999", + "0.0002989", + "0.0008252", + "0.0021227", + "0.0049768", + "0.0104096", + "0.0176161", + "0.0179346", + "-0.0174241", + "-0.1012693", + "-0.1309025", + "0.1218506", + "0.4407418", + "0.0905551", + "-0.6793270", + "-0.5429458", + "0.7837390", + "0.6066884", + "0.0155208", + "-0.0049275" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000022", + "-0.0000080", + "-0.0000259", + "-0.0000776", + "-0.0002137", + "-0.0005515", + "-0.0012882", + "-0.0027075", + "-0.0045533", + "-0.0046976", + "0.0046355", + "0.0261324", + "0.0347054", + "-0.0333462", + "-0.1149868", + "-0.0283127", + "0.1984585", + "0.1573668", + "-0.2753628", + "-0.4308684", + "0.7312902", + "0.4621165" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.1362560e+05", + "2.6893930e+04", + "8.7350666e+03", + "3.3447385e+03", + "1.4227704e+03", + "6.5183557e+02", + "3.1545720e+02", + "1.5884535e+02", + "8.2396158e+01", + "4.3322018e+01", + "2.2826338e+01", + "1.2261604e+01", + "6.4279531e+00", + "3.3136184e+00", + "1.6827586e+00", + "7.5077525e-01", + "3.3876128e-01", + "1.4125174e-01" + ], + "coefficients": [ + [ + "0.0000373", + "0.0003326", + "0.0019316", + "0.0086291", + "0.0312628", + "0.0919742", + "0.2099924", + "0.3403037", + "0.3281944", + "0.1453844", + "0.0188638", + "0.0008499", + "-0.0003144", + "0.0000547", + "-0.0000805", + "0.0000292", + "-0.0000122", + "0.0000033" + ], + [ + "-0.0000179", + "-0.0001601", + "-0.0009330", + "-0.0042001", + "-0.0154725", + "-0.0470297", + "-0.1131604", + "-0.1965109", + "-0.1792417", + "0.1025517", + "0.4903324", + "0.4335386", + "0.1109975", + "0.0050852", + "0.0011727", + "-0.0002725", + "0.0001004", + "-0.0000258" + ], + [ + "0.0000083", + "0.0000746", + "0.0004338", + "0.0019607", + "0.0072313", + "0.0221932", + "0.0538626", + "0.0956091", + "0.0845313", + "-0.0790171", + "-0.3609192", + "-0.3213134", + "0.2867158", + "0.6396429", + "0.2972161", + "0.0264113", + "-0.0004250", + "0.0001334" + ], + [ + "-0.0000029", + "-0.0000260", + "-0.0001505", + "-0.0006839", + "-0.0025114", + "-0.0077595", + "-0.0187603", + "-0.0337041", + "-0.0290784", + "0.0290201", + "0.1396891", + "0.1162141", + "-0.1438095", + "-0.3599945", + "-0.1276210", + "0.4609908", + "0.5853605", + "0.1539046" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.7313569e+03", + "1.1292697e+03", + "4.4150975e+02", + "1.9661046e+02", + "9.4464434e+01", + "4.7639831e+01", + "2.4649879e+01", + "1.2985137e+01", + "6.7711794e+00", + "3.4328049e+00", + "1.6818724e+00", + "7.4020051e-01" + ], + "coefficients": [ + [ + "0.0002353", + "0.0023043", + "0.0134262", + "0.0534820", + "0.1515745", + "0.2958138", + "0.3753786", + "0.2533016", + "0.0699739", + "0.0051375", + "0.0003548", + "-0.0000009" + ], + [ + "-0.0001090", + "-0.0010655", + "-0.0062800", + "-0.0252166", + "-0.0732463", + "-0.1422394", + "-0.1687337", + "-0.0113519", + "0.3149408", + "0.4767554", + "0.2902729", + "0.0555454" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.8403000e+02", + "9.8711542e+01", + "4.2208004e+01", + "1.9595644e+01", + "9.5810715e+00", + "4.7557788e+00", + "2.3352396e+00", + "1.1120910e+00", + "4.9951796e-01", + "2.0217805e-01" + ], + "coefficients": [ + [ + "0.0007832", + "0.0068852", + "0.0319218", + "0.0952209", + "0.2022430", + "0.2972463", + "0.3254747", + "0.2648442", + "0.1529881", + "0.0457148" + ] + ] + } + ] + }, + "62": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.7665772e+07", + "1.3122237e+07", + "2.9870890e+06", + "8.4666743e+05", + "2.7651333e+05", + "9.9972991e+04", + "3.9061893e+04", + "1.6236091e+04", + "7.1001653e+03", + "3.2391447e+03", + "1.5308614e+03", + "7.4481154e+02", + "3.6899078e+02", + "1.7652953e+02", + "9.2421233e+01", + "4.7940167e+01", + "2.3174953e+01", + "1.2849781e+01", + "6.7312036e+00", + "3.4362592e+00", + "1.7470468e+00", + "6.0206006e-01", + "2.6751333e-01", + "4.7742046e-02", + "2.0201226e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000729", + "0.0003078", + "0.0011195", + "0.0036404", + "0.0107904", + "0.0292912", + "0.0720857", + "0.1553384", + "0.2724280", + "0.3351501", + "0.2220977", + "0.0462141", + "-0.0022930", + "0.0017670", + "-0.0011519", + "0.0007626", + "-0.0004314", + "0.0002233", + "-0.0000850", + "0.0000249", + "-0.0000100", + "0.0000025", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000239", + "-0.0001011", + "-0.0003680", + "-0.0012007", + "-0.0035815", + "-0.0098901", + "-0.0251855", + "-0.0584844", + "-0.1183453", + "-0.1909402", + "-0.1735438", + "0.1306189", + "0.5422351", + "0.4394507", + "0.0812702", + "-0.0067936", + "0.0032523", + "-0.0016059", + "0.0004999", + "-0.0001370", + "0.0000585", + "-0.0000139", + "0.0000066" + ], + [ + "0.0000003", + "0.0000021", + "0.0000110", + "0.0000464", + "0.0001688", + "0.0005517", + "0.0016454", + "0.0045607", + "0.0116557", + "0.0274189", + "0.0565939", + "0.0957296", + "0.0932340", + "-0.0847652", + "-0.4769792", + "-0.5194463", + "0.3458682", + "0.8045313", + "0.2505987", + "0.0108828", + "0.0020335", + "-0.0003934", + "0.0000722", + "-0.0000261", + "0.0000122" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000052", + "-0.0000221", + "-0.0000803", + "-0.0002624", + "-0.0007827", + "-0.0021710", + "-0.0055541", + "-0.0131005", + "-0.0271713", + "-0.0464325", + "-0.0460530", + "0.0436712", + "0.2630907", + "0.3166562", + "-0.2747702", + "-0.9806507", + "-0.1407823", + "0.9405024", + "0.5090110", + "0.0253656", + "-0.0030893", + "0.0007353", + "-0.0003362" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000306", + "0.0000998", + "0.0002990", + "0.0008256", + "0.0021241", + "0.0049803", + "0.0104259", + "0.0176525", + "0.0179793", + "-0.0176667", + "-0.1018444", + "-0.1313038", + "0.1267074", + "0.4411787", + "0.0803231", + "-0.6814795", + "-0.5286067", + "0.7830060", + "0.6033296", + "0.0153773", + "-0.0049029" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000022", + "-0.0000079", + "-0.0000256", + "-0.0000769", + "-0.0002118", + "-0.0005467", + "-0.0012772", + "-0.0026865", + "-0.0045207", + "-0.0046650", + "0.0046538", + "0.0260402", + "0.0344813", + "-0.0342890", + "-0.1140361", + "-0.0252331", + "0.1969017", + "0.1516157", + "-0.2713829", + "-0.4258590", + "0.7286730", + "0.4622576" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.1764704e+05", + "2.7847764e+04", + "9.0472155e+03", + "3.4647294e+03", + "1.4739958e+03", + "6.7550418e+02", + "3.2707570e+02", + "1.6478784e+02", + "8.5518006e+01", + "4.4988093e+01", + "2.3725567e+01", + "1.2750107e+01", + "6.6828085e+00", + "3.4437296e+00", + "1.7466828e+00", + "7.7726289e-01", + "3.4970932e-01", + "1.4557567e-01" + ], + "coefficients": [ + [ + "0.0000372", + "0.0003319", + "0.0019267", + "0.0086081", + "0.0311915", + "0.0917628", + "0.2095730", + "0.3400086", + "0.3285370", + "0.1457875", + "0.0188964", + "0.0008468", + "-0.0003160", + "0.0000575", + "-0.0000800", + "0.0000292", + "-0.0000121", + "0.0000033" + ], + [ + "-0.0000180", + "-0.0001603", + "-0.0009338", + "-0.0042043", + "-0.0154915", + "-0.0470879", + "-0.1133573", + "-0.1971043", + "-0.1802189", + "0.1027715", + "0.4921935", + "0.4329068", + "0.1098997", + "0.0049646", + "0.0011744", + "-0.0002674", + "0.0001001", + "-0.0000257" + ], + [ + "0.0000084", + "0.0000749", + "0.0004354", + "0.0019682", + "0.0072610", + "0.0222862", + "0.0541215", + "0.0962056", + "0.0852766", + "-0.0797519", + "-0.3646316", + "-0.3200202", + "0.2931138", + "0.6391304", + "0.2934902", + "0.0256830", + "-0.0004095", + "0.0001320" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001500", + "-0.0006816", + "-0.0025035", + "-0.0077358", + "-0.0187149", + "-0.0336707", + "-0.0291279", + "0.0291027", + "0.1401524", + "0.1146890", + "-0.1458090", + "-0.3570711", + "-0.1225647", + "0.4595271", + "0.5835081", + "0.1551226" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.8921364e+03", + "1.1781821e+03", + "4.6066153e+02", + "2.0514197e+02", + "9.8579422e+01", + "4.9732835e+01", + "2.5749125e+01", + "1.3572112e+01", + "7.0803511e+00", + "3.5900103e+00", + "1.7579359e+00", + "7.7234756e-01" + ], + "coefficients": [ + [ + "0.0002329", + "0.0022818", + "0.0133199", + "0.0532162", + "0.1512700", + "0.2960187", + "0.3758530", + "0.2529719", + "0.0695449", + "0.0051452", + "0.0003902", + "0.0000111" + ], + [ + "-0.0001085", + "-0.0010608", + "-0.0062645", + "-0.0252331", + "-0.0735217", + "-0.1432429", + "-0.1698096", + "-0.0099061", + "0.3176971", + "0.4763110", + "0.2881389", + "0.0547755" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.9938088e+02", + "1.0416191e+02", + "4.4588812e+01", + "2.0741170e+01", + "1.0159181e+01", + "5.0529538e+00", + "2.4858706e+00", + "1.1857839e+00", + "5.3313614e-01", + "2.1590774e-01" + ], + "coefficients": [ + [ + "0.0007828", + "0.0069062", + "0.0321973", + "0.0962858", + "0.2041225", + "0.2985288", + "0.3246359", + "0.2625061", + "0.1508491", + "0.0450132" + ] + ] + } + ] + }, + "63": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.0477111e+07", + "1.3546318e+07", + "3.0834907e+06", + "8.7400308e+05", + "2.8545239e+05", + "1.0319745e+05", + "4.0320787e+04", + "1.6760374e+04", + "7.3293574e+03", + "3.3433408e+03", + "1.5799657e+03", + "7.6869460e+02", + "3.8083872e+02", + "1.8212932e+02", + "9.5379587e+01", + "4.9504441e+01", + "2.3940183e+01", + "1.3268921e+01", + "6.9393397e+00", + "3.5516959e+00", + "1.8052337e+00", + "6.2079193e-01", + "2.7472960e-01", + "4.8611946e-02", + "2.0505786e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000730", + "0.0003079", + "0.0011200", + "0.0036423", + "0.0107951", + "0.0293012", + "0.0721227", + "0.1554431", + "0.2725792", + "0.3351778", + "0.2219154", + "0.0460601", + "-0.0023344", + "0.0017754", + "-0.0011558", + "0.0007648", + "-0.0004329", + "0.0002247", + "-0.0000852", + "0.0000247", + "-0.0000099", + "0.0000024", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000240", + "-0.0001012", + "-0.0003685", + "-0.0012026", + "-0.0035869", + "-0.0099044", + "-0.0252267", + "-0.0585966", + "-0.1185786", + "-0.1912867", + "-0.1735875", + "0.1320887", + "0.5434100", + "0.4381497", + "0.0802511", + "-0.0067732", + "0.0032113", + "-0.0015904", + "0.0004947", + "-0.0001344", + "0.0000571", + "-0.0000136", + "0.0000064" + ], + [ + "0.0000003", + "0.0000021", + "0.0000110", + "0.0000466", + "0.0001695", + "0.0005540", + "0.0016521", + "0.0045793", + "0.0117052", + "0.0275463", + "0.0568617", + "0.0961973", + "0.0935570", + "-0.0861338", + "-0.4808934", + "-0.5196371", + "0.3571365", + "0.8035760", + "0.2446877", + "0.0099814", + "0.0020955", + "-0.0004051", + "0.0000789", + "-0.0000274", + "0.0000128" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000053", + "-0.0000222", + "-0.0000808", + "-0.0002640", + "-0.0007875", + "-0.0021839", + "-0.0055889", + "-0.0131859", + "-0.0273579", + "-0.0467495", + "-0.0463384", + "0.0445595", + "0.2660083", + "0.3185283", + "-0.2881199", + "-0.9852198", + "-0.1200151", + "0.9428377", + "0.4995370", + "0.0245538", + "-0.0029743", + "0.0007109", + "-0.0003257" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000307", + "0.0000999", + "0.0002991", + "0.0008259", + "0.0021255", + "0.0049847", + "0.0104396", + "0.0176733", + "0.0179942", + "-0.0179276", + "-0.1024115", + "-0.1314634", + "0.1321340", + "0.4406929", + "0.0694432", + "-0.6817986", + "-0.5149004", + "0.7815600", + "0.6003354", + "0.0152860", + "-0.0048962" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000021", + "-0.0000078", + "-0.0000254", + "-0.0000763", + "-0.0002101", + "-0.0005424", + "-0.0012675", + "-0.0026671", + "-0.0044879", + "-0.0046285", + "0.0046793", + "0.0259667", + "0.0342204", + "-0.0353813", + "-0.1129442", + "-0.0220491", + "0.1949755", + "0.1463013", + "-0.2675504", + "-0.4211771", + "0.7264963", + "0.4621176" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.2161208e+05", + "2.8787208e+04", + "9.3527332e+03", + "3.5825429e+03", + "1.5246948e+03", + "6.9902932e+02", + "3.3857796e+02", + "1.7062767e+02", + "8.8570349e+01", + "4.6613392e+01", + "2.4609087e+01", + "1.3231746e+01", + "6.9349789e+00", + "3.5720756e+00", + "1.8094560e+00", + "8.0274951e-01", + "3.6012489e-01", + "1.4964665e-01" + ], + "coefficients": [ + [ + "0.0000372", + "0.0003319", + "0.0019264", + "0.0086030", + "0.0311596", + "0.0916638", + "0.2094581", + "0.3400497", + "0.3286872", + "0.1457165", + "0.0187848", + "0.0008505", + "-0.0003223", + "0.0000627", + "-0.0000804", + "0.0000296", + "-0.0000123", + "0.0000033" + ], + [ + "-0.0000180", + "-0.0001608", + "-0.0009368", + "-0.0042158", + "-0.0155279", + "-0.0471993", + "-0.1137089", + "-0.1978918", + "-0.1808939", + "0.1039412", + "0.4943895", + "0.4315510", + "0.1084606", + "0.0048431", + "0.0011667", + "-0.0002594", + "0.0000983", + "-0.0000254" + ], + [ + "0.0000084", + "0.0000753", + "0.0004378", + "0.0019784", + "0.0072961", + "0.0223955", + "0.0544337", + "0.0968605", + "0.0858188", + "-0.0810413", + "-0.3684690", + "-0.3177671", + "0.2999873", + "0.6382429", + "0.2895902", + "0.0249339", + "-0.0004018", + "0.0001310" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001496", + "-0.0006798", + "-0.0024962", + "-0.0077137", + "-0.0186780", + "-0.0336393", + "-0.0290884", + "0.0293644", + "0.1405746", + "0.1127160", + "-0.1478217", + "-0.3537543", + "-0.1174301", + "0.4581823", + "0.5815920", + "0.1561806" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.0439262e+03", + "1.2243321e+03", + "4.7882658e+02", + "2.1333641e+02", + "1.0258070e+02", + "5.1785362e+01", + "2.6834419e+01", + "1.4154051e+01", + "7.3872458e+00", + "3.7458973e+00", + "1.8332311e+00", + "8.0426013e-01" + ], + "coefficients": [ + [ + "0.0002321", + "0.0022753", + "0.0132883", + "0.0531440", + "0.1512832", + "0.2964615", + "0.3761682", + "0.2522228", + "0.0689288", + "0.0051312", + "0.0004237", + "0.0000217" + ], + [ + "-0.0001086", + "-0.0010629", + "-0.0062799", + "-0.0253257", + "-0.0739055", + "-0.1442596", + "-0.1706291", + "-0.0079933", + "0.3205622", + "0.4756541", + "0.2859103", + "0.0540284" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.1467303e+02", + "1.0954552e+02", + "4.6930666e+01", + "2.1871246e+01", + "1.0732868e+01", + "5.3481974e+00", + "2.6354198e+00", + "1.2592421e+00", + "5.6714173e-01", + "2.3019588e-01" + ], + "coefficients": [ + [ + "0.0007844", + "0.0069499", + "0.0325502", + "0.0974593", + "0.2060780", + "0.2999822", + "0.3239941", + "0.2600199", + "0.1481581", + "0.0438668" + ] + ] + } + ] + }, + "64": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.3424616e+07", + "1.3988720e+07", + "3.1852235e+06", + "9.0323596e+05", + "2.9511438e+05", + "1.0672071e+05", + "4.1692189e+04", + "1.7320438e+04", + "7.5695526e+03", + "3.4514358e+03", + "1.6304499e+03", + "7.9290234e+02", + "3.9265345e+02", + "1.8748606e+02", + "9.8264405e+01", + "5.1070293e+01", + "2.4759077e+01", + "1.3742483e+01", + "7.2008461e+00", + "3.7027065e+00", + "1.8968105e+00", + "6.7791972e-01", + "3.0329552e-01", + "5.6338120e-02", + "2.3287409e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000729", + "0.0003073", + "0.0011172", + "0.0036329", + "0.0107754", + "0.0292804", + "0.0721215", + "0.1554964", + "0.2727971", + "0.3354293", + "0.2217566", + "0.0458034", + "-0.0024479", + "0.0018231", + "-0.0011940", + "0.0007974", + "-0.0004564", + "0.0002414", + "-0.0000942", + "0.0000282", + "-0.0000111", + "0.0000027", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000240", + "-0.0001011", + "-0.0003679", + "-0.0012007", + "-0.0035837", + "-0.0099073", + "-0.0252501", + "-0.0586825", + "-0.1188107", + "-0.1917724", + "-0.1735615", + "0.1344339", + "0.5444248", + "0.4359322", + "0.0794159", + "-0.0067069", + "0.0031925", + "-0.0016118", + "0.0005179", + "-0.0001445", + "0.0000605", + "-0.0000140", + "0.0000064" + ], + [ + "0.0000003", + "0.0000021", + "0.0000111", + "0.0000467", + "0.0001697", + "0.0005545", + "0.0016547", + "0.0045920", + "0.0117453", + "0.0276570", + "0.0571235", + "0.0967171", + "0.0938489", + "-0.0881591", + "-0.4847545", + "-0.5189448", + "0.3646509", + "0.8012305", + "0.2429898", + "0.0097945", + "0.0021253", + "-0.0004449", + "0.0000840", + "-0.0000287", + "0.0000129" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000053", + "-0.0000223", + "-0.0000813", + "-0.0002655", + "-0.0007927", + "-0.0022007", + "-0.0056363", + "-0.0133039", + "-0.0276259", + "-0.0472364", + "-0.0467526", + "0.0459399", + "0.2697925", + "0.3209006", + "-0.2988939", + "-0.9907048", + "-0.1134519", + "0.9473202", + "0.4958238", + "0.0251377", + "-0.0027309", + "0.0006597", + "-0.0002897" + ], + [ + "0.0000001", + "0.0000004", + "0.0000021", + "0.0000087", + "0.0000316", + "0.0001028", + "0.0003082", + "0.0008519", + "0.0021938", + "0.0051484", + "0.0107889", + "0.0182838", + "0.0185776", + "-0.0188932", + "-0.1064423", + "-0.1357375", + "0.1404877", + "0.4551586", + "0.0686874", + "-0.7099789", + "-0.5326086", + "0.7983221", + "0.6063024", + "0.0166965", + "-0.0050114" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000023", + "-0.0000083", + "-0.0000271", + "-0.0000812", + "-0.0002241", + "-0.0005781", + "-0.0013537", + "-0.0028454", + "-0.0048040", + "-0.0049230", + "0.0050563", + "0.0279842", + "0.0363635", + "-0.0384828", + "-0.1215875", + "-0.0214904", + "0.2092671", + "0.1607681", + "-0.2966363", + "-0.4231741", + "0.7032506", + "0.4927983" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.2532799e+05", + "2.9664185e+04", + "9.6333231e+03", + "3.6866846e+03", + "1.5667821e+03", + "7.1700397e+02", + "3.4665343e+02", + "1.7446301e+02", + "9.0488985e+01", + "4.7603839e+01", + "2.5195701e+01", + "1.3574988e+01", + "7.1364219e+00", + "3.6905507e+00", + "1.8816984e+00", + "8.5461928e-01", + "3.8844550e-01", + "1.6167363e-01" + ], + "coefficients": [ + [ + "0.0000374", + "0.0003334", + "0.0019378", + "0.0086724", + "0.0315046", + "0.0928960", + "0.2121869", + "0.3425754", + "0.3268954", + "0.1416786", + "0.0174624", + "0.0009002", + "-0.0003803", + "0.0000946", + "-0.0000951", + "0.0000372", + "-0.0000149", + "0.0000040" + ], + [ + "-0.0000181", + "-0.0001621", + "-0.0009452", + "-0.0042635", + "-0.0157516", + "-0.0480150", + "-0.1156852", + "-0.2003500", + "-0.1789535", + "0.1135455", + "0.5002638", + "0.4231415", + "0.1037886", + "0.0045853", + "0.0010929", + "-0.0002595", + "0.0000890", + "-0.0000238" + ], + [ + "0.0000085", + "0.0000764", + "0.0004445", + "0.0020132", + "0.0074478", + "0.0229280", + "0.0557502", + "0.0987406", + "0.0851776", + "-0.0879976", + "-0.3776734", + "-0.3090937", + "0.3153511", + "0.6376495", + "0.2783368", + "0.0232419", + "-0.0001049", + "0.0000687" + ], + [ + "-0.0000030", + "-0.0000271", + "-0.0001568", + "-0.0007139", + "-0.0026306", + "-0.0081498", + "-0.0197531", + "-0.0353924", + "-0.0297987", + "0.0330431", + "0.1490656", + "0.1126438", + "-0.1610788", + "-0.3704746", + "-0.1107741", + "0.4834341", + "0.5734880", + "0.1426510" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.8894989e+03", + "1.4824686e+03", + "5.8100923e+02", + "2.6002234e+02", + "1.2578847e+02", + "6.4049128e+01", + "3.3501657e+01", + "1.7888141e+01", + "9.5194378e+00", + "4.9568271e+00", + "2.5334504e+00", + "1.2356205e+00", + "5.1651252e-01", + "2.0475916e-01", + "7.4501488e-02" + ], + "coefficients": [ + [ + "0.0001651", + "0.0016296", + "0.0096676", + "0.0398767", + "0.1191160", + "0.2531442", + "0.3629789", + "0.3023511", + "0.1147078", + "0.0142860", + "0.0007875", + "0.0000526", + "0.0000402", + "0.0000051", + "0.0000090" + ], + [ + "-0.0000781", + "-0.0007691", + "-0.0046128", + "-0.0191551", + "-0.0585667", + "-0.1251955", + "-0.1732094", + "-0.0818996", + "0.2161501", + "0.4529714", + "0.3678595", + "0.1176203", + "0.0089712", + "0.0000207", + "0.0000962" + ], + [ + "0.0000192", + "0.0001904", + "0.0011363", + "0.0047500", + "0.0144918", + "0.0312000", + "0.0425432", + "0.0176584", + "-0.0684875", + "-0.1307614", + "-0.1004884", + "0.1273723", + "0.4159029", + "0.4742303", + "0.2227228" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.3393288e+02", + "1.1651630e+02", + "5.0089871e+01", + "2.3487742e+01", + "1.1615854e+01", + "5.8525940e+00", + "2.9288966e+00", + "1.4292708e+00", + "6.6149196e-01", + "2.7646402e-01" + ], + "coefficients": [ + [ + "0.0007909", + "0.0070200", + "0.0329838", + "0.0986773", + "0.2085497", + "0.3032821", + "0.3246080", + "0.2527875", + "0.1341691", + "0.0346775" + ] + ] + } + ] + }, + "65": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.6393769e+07", + "1.4432394e+07", + "3.2857421e+06", + "9.3126031e+05", + "3.0406185e+05", + "1.0989571e+05", + "4.2929398e+04", + "1.7842582e+04", + "7.8024789e+03", + "3.5591219e+03", + "1.6817764e+03", + "8.1810393e+02", + "4.0528713e+02", + "1.9371260e+02", + "1.0150800e+02", + "5.2752197e+01", + "2.5533337e+01", + "1.4137149e+01", + "7.3653505e+00", + "3.7871026e+00", + "1.9250222e+00", + "6.6244177e-01", + "2.9080473e-01", + "5.0494793e-02", + "2.1162836e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000729", + "0.0003077", + "0.0011197", + "0.0036423", + "0.0107974", + "0.0293088", + "0.0721407", + "0.1555056", + "0.2727563", + "0.3353234", + "0.2217251", + "0.0458283", + "-0.0023975", + "0.0017853", + "-0.0011575", + "0.0007635", + "-0.0004327", + "0.0002265", + "-0.0000854", + "0.0000245", + "-0.0000097", + "0.0000024", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000240", + "-0.0001014", + "-0.0003691", + "-0.0012051", + "-0.0035949", + "-0.0099276", + "-0.0252863", + "-0.0587545", + "-0.1189531", + "-0.1919458", + "-0.1737875", + "0.1345028", + "0.5453179", + "0.4360607", + "0.0785914", + "-0.0067383", + "0.0031472", + "-0.0015715", + "0.0004912", + "-0.0001316", + "0.0000551", + "-0.0000130", + "0.0000062" + ], + [ + "0.0000003", + "0.0000021", + "0.0000111", + "0.0000469", + "0.0001706", + "0.0005579", + "0.0016638", + "0.0046128", + "0.0117904", + "0.0277615", + "0.0573357", + "0.0970806", + "0.0942296", + "-0.0885018", + "-0.4879169", + "-0.5202855", + "0.3772378", + "0.8020364", + "0.2341718", + "0.0082607", + "0.0022231", + "-0.0004320", + "0.0000921", + "-0.0000298", + "0.0000140" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000053", + "-0.0000224", + "-0.0000816", + "-0.0002669", + "-0.0007963", + "-0.0022084", + "-0.0056527", + "-0.0133405", + "-0.0277049", + "-0.0473683", + "-0.0469216", + "0.0461389", + "0.2714691", + "0.3222733", + "-0.3128153", + "-0.9936313", + "-0.0813352", + "0.9479834", + "0.4804299", + "0.0230479", + "-0.0026984", + "0.0006522", + "-0.0003000" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000307", + "0.0001002", + "0.0003001", + "0.0008286", + "0.0021333", + "0.0050040", + "0.0104917", + "0.0177681", + "0.0180880", + "-0.0184261", + "-0.1037346", + "-0.1322139", + "0.1424312", + "0.4410078", + "0.0497870", + "-0.6867845", + "-0.4892643", + "0.7811522", + "0.5947200", + "0.0150128", + "-0.0048546" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000021", + "-0.0000077", + "-0.0000250", + "-0.0000751", + "-0.0002069", + "-0.0005344", + "-0.0012491", + "-0.0026310", + "-0.0044292", + "-0.0045665", + "0.0047175", + "0.0258218", + "0.0337751", + "-0.0373338", + "-0.1109242", + "-0.0164737", + "0.1924140", + "0.1360615", + "-0.2604694", + "-0.4116932", + "0.7220720", + "0.4617589" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.2958032e+05", + "3.0678579e+04", + "9.9696194e+03", + "3.8190875e+03", + "1.6249804e+03", + "7.4461114e+02", + "3.6043534e+02", + "1.8157837e+02", + "9.4249494e+01", + "4.9622677e+01", + "2.6262394e+01", + "1.4137912e+01", + "7.4119436e+00", + "3.8179915e+00", + "1.9316753e+00", + "8.5613155e-01", + "3.8242558e-01", + "1.5852746e-01" + ], + "coefficients": [ + [ + "0.0000373", + "0.0003324", + "0.0019290", + "0.0086185", + "0.0312567", + "0.0920979", + "0.2106164", + "0.3413525", + "0.3280761", + "0.1436536", + "0.0179840", + "0.0008692", + "-0.0003501", + "0.0000809", + "-0.0000849", + "0.0000319", + "-0.0000132", + "0.0000036" + ], + [ + "-0.0000182", + "-0.0001621", + "-0.0009439", + "-0.0042499", + "-0.0156759", + "-0.0477415", + "-0.1151717", + "-0.2002218", + "-0.1809696", + "0.1104092", + "0.5006603", + "0.4255683", + "0.1038116", + "0.0044818", + "0.0011338", + "-0.0002413", + "0.0000936", + "-0.0000241" + ], + [ + "0.0000085", + "0.0000763", + "0.0004434", + "0.0020045", + "0.0074034", + "0.0227721", + "0.0554415", + "0.0985794", + "0.0861884", + "-0.0862442", + "-0.3780582", + "-0.3093116", + "0.3181844", + "0.6354933", + "0.2785757", + "0.0231324", + "-0.0002852", + "0.0001108" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001499", + "-0.0006811", + "-0.0025053", + "-0.0077570", + "-0.0188187", + "-0.0338609", + "-0.0288913", + "0.0309685", + "0.1427675", + "0.1077504", + "-0.1546211", + "-0.3492655", + "-0.1047864", + "0.4583740", + "0.5764636", + "0.1569261" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.3735299e+03", + "1.3242821e+03", + "5.1796661e+02", + "2.3080719e+02", + "1.1100079e+02", + "5.6049139e+01", + "2.9063324e+01", + "1.5338137e+01", + "8.0078576e+00", + "4.0609177e+00", + "1.9852679e+00", + "8.6714491e-01" + ], + "coefficients": [ + [ + "0.0002287", + "0.0022448", + "0.0131469", + "0.0528262", + "0.1511804", + "0.2975661", + "0.3772229", + "0.2507797", + "0.0675419", + "0.0050528", + "0.0004781", + "0.0000455" + ], + [ + "-0.0001081", + "-0.0010590", + "-0.0062744", + "-0.0254312", + "-0.0746253", + "-0.1464441", + "-0.1724990", + "-0.0039204", + "0.3271081", + "0.4747607", + "0.2803710", + "0.0518811" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.3685044e+02", + "1.1735062e+02", + "5.0309303e+01", + "2.3469690e+01", + "1.1524600e+01", + "5.7322058e+00", + "2.8117992e+00", + "1.3330656e+00", + "5.9401650e-01", + "2.3775716e-01" + ], + "coefficients": [ + [ + "0.0008354", + "0.0074122", + "0.0346815", + "0.1034079", + "0.2143835", + "0.3042843", + "0.3205794", + "0.2532711", + "0.1444044", + "0.0439011" + ] + ] + } + ] + }, + "66": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.9446680e+07", + "1.4888971e+07", + "3.3889779e+06", + "9.6039953e+05", + "3.1355784e+05", + "1.1331880e+05", + "4.4262119e+04", + "1.8395561e+04", + "8.0442877e+03", + "3.6693857e+03", + "1.7337777e+03", + "8.4334459e+02", + "4.1778459e+02", + "1.9964255e+02", + "1.0464855e+02", + "5.4420566e+01", + "2.6367200e+01", + "1.4588255e+01", + "7.5859479e+00", + "3.9069442e+00", + "1.9854379e+00", + "6.8256644e-01", + "2.9851257e-01", + "5.1417927e-02", + "2.1487474e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000729", + "0.0003076", + "0.0011196", + "0.0036425", + "0.0107992", + "0.0293137", + "0.0721521", + "0.1555447", + "0.2728523", + "0.3353854", + "0.2216176", + "0.0457137", + "-0.0024251", + "0.0017895", + "-0.0011571", + "0.0007609", + "-0.0004311", + "0.0002263", + "-0.0000852", + "0.0000243", + "-0.0000096", + "0.0000023", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000240", + "-0.0001015", + "-0.0003695", + "-0.0012064", + "-0.0035991", + "-0.0099392", + "-0.0253160", + "-0.0588345", + "-0.1191397", + "-0.1922644", + "-0.1738706", + "0.1356491", + "0.5462056", + "0.4350237", + "0.0778130", + "-0.0066435", + "0.0030849", + "-0.0015455", + "0.0004830", + "-0.0001286", + "0.0000536", + "-0.0000126", + "0.0000060" + ], + [ + "0.0000003", + "0.0000021", + "0.0000111", + "0.0000470", + "0.0001712", + "0.0005597", + "0.0016695", + "0.0046288", + "0.0118314", + "0.0278653", + "0.0575651", + "0.0975006", + "0.0945462", + "-0.0896504", + "-0.4912174", + "-0.5205891", + "0.3861601", + "0.8014014", + "0.2296318", + "0.0075266", + "0.0022735", + "-0.0004418", + "0.0000974", + "-0.0000308", + "0.0000145" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000053", + "-0.0000225", + "-0.0000820", + "-0.0002682", + "-0.0008003", + "-0.0022195", + "-0.0056816", + "-0.0134111", + "-0.0278638", + "-0.0476504", + "-0.0471824", + "0.0468878", + "0.2739907", + "0.3239133", + "-0.3239850", + "-0.9966917", + "-0.0638407", + "0.9494198", + "0.4720125", + "0.0223747", + "-0.0025934", + "0.0006299", + "-0.0002902" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000308", + "0.0001002", + "0.0003003", + "0.0008291", + "0.0021349", + "0.0050083", + "0.0105062", + "0.0177953", + "0.0181125", + "-0.0186453", + "-0.1042517", + "-0.1324046", + "0.1468874", + "0.4403306", + "0.0408538", + "-0.6873471", + "-0.4775589", + "0.7804542", + "0.5919965", + "0.0149026", + "-0.0048369" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000021", + "-0.0000076", + "-0.0000248", + "-0.0000746", + "-0.0002053", + "-0.0005303", + "-0.0012398", + "-0.0026127", + "-0.0043992", + "-0.0045343", + "0.0047321", + "0.0257359", + "0.0335379", + "-0.0381341", + "-0.1098192", + "-0.0139900", + "0.1907449", + "0.1315555", + "-0.2572130", + "-0.4073215", + "0.7194838", + "0.4622345" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.3388410e+05", + "3.1684356e+04", + "1.0289456e+04", + "3.9391507e+03", + "1.6754822e+03", + "7.6769038e+02", + "3.7162046e+02", + "1.8722285e+02", + "9.7177463e+01", + "5.1163482e+01", + "2.7106782e+01", + "1.4598862e+01", + "7.6541763e+00", + "3.9417262e+00", + "1.9924545e+00", + "8.8209482e-01", + "3.9313239e-01", + "1.6274315e-01" + ], + "coefficients": [ + [ + "0.0000372", + "0.0003322", + "0.0019305", + "0.0086343", + "0.0313282", + "0.0923115", + "0.2110819", + "0.3418818", + "0.3278743", + "0.1427299", + "0.0175829", + "0.0008892", + "-0.0003684", + "0.0000926", + "-0.0000885", + "0.0000336", + "-0.0000138", + "0.0000037" + ], + [ + "-0.0000182", + "-0.0001625", + "-0.0009473", + "-0.0042702", + "-0.0157589", + "-0.0480040", + "-0.1158206", + "-0.2012763", + "-0.1810434", + "0.1135573", + "0.5036704", + "0.4226087", + "0.1015908", + "0.0043311", + "0.0011125", + "-0.0002310", + "0.0000905", + "-0.0000232" + ], + [ + "0.0000086", + "0.0000766", + "0.0004459", + "0.0020181", + "0.0074582", + "0.0229465", + "0.0558820", + "0.0993395", + "0.0863554", + "-0.0887856", + "-0.3824748", + "-0.3048740", + "0.3266653", + "0.6339181", + "0.2735069", + "0.0222920", + "-0.0002380", + "0.0001016" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001498", + "-0.0006816", + "-0.0025084", + "-0.0077683", + "-0.0188533", + "-0.0339127", + "-0.0287689", + "0.0317124", + "0.1435860", + "0.1051531", + "-0.1575093", + "-0.3465273", + "-0.0989875", + "0.4581458", + "0.5741315", + "0.1573857" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.5086184e+03", + "1.3651641e+03", + "5.3394798e+02", + "2.3795218e+02", + "1.1449014e+02", + "5.7855898e+01", + "3.0037834e+01", + "1.5871095e+01", + "8.2964620e+00", + "4.2112054e+00", + "2.0591411e+00", + "8.9816364e-01" + ], + "coefficients": [ + [ + "0.0002309", + "0.0022677", + "0.0132848", + "0.0533678", + "0.1525061", + "0.2992439", + "0.3770748", + "0.2481629", + "0.0660784", + "0.0049705", + "0.0004960", + "0.0000570" + ], + [ + "-0.0001096", + "-0.0010744", + "-0.0063665", + "-0.0258090", + "-0.0756210", + "-0.1479630", + "-0.1726324", + "0.0001516", + "0.3309297", + "0.4733030", + "0.2770598", + "0.0508355" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.4889526e+02", + "1.2157070e+02", + "5.2152799e+01", + "2.4357357e+01", + "1.1970659e+01", + "5.9536890e+00", + "2.9179824e+00", + "1.3812079e+00", + "6.1396478e-01", + "2.4485297e-01" + ], + "coefficients": [ + [ + "0.0008566", + "0.0076083", + "0.0355695", + "0.1058034", + "0.2176156", + "0.3058384", + "0.3190334", + "0.2503624", + "0.1425696", + "0.0436707" + ] + ] + } + ] + }, + "67": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.0252362e+08", + "1.5351876e+07", + "3.4945431e+06", + "9.9023500e+05", + "3.2328155e+05", + "1.1683291e+05", + "4.5633906e+04", + "1.8964106e+04", + "8.2914221e+03", + "3.7812549e+03", + "1.7863110e+03", + "8.6882860e+02", + "4.3043226e+02", + "2.0568150e+02", + "1.0784833e+02", + "5.6123331e+01", + "2.7211217e+01", + "1.5047445e+01", + "7.8116523e+00", + "4.0292629e+00", + "2.0470991e+00", + "7.0294322e-01", + "3.0630900e-01", + "5.2319670e-02", + "2.1799423e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000138", + "0.0000728", + "0.0003075", + "0.0011190", + "0.0036408", + "0.0107951", + "0.0293092", + "0.0721675", + "0.1556230", + "0.2729950", + "0.3354301", + "0.2214535", + "0.0455953", + "-0.0024443", + "0.0017902", + "-0.0011548", + "0.0007575", + "-0.0004290", + "0.0002257", + "-0.0000847", + "0.0000241", + "-0.0000094", + "0.0000023", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000240", + "-0.0001015", + "-0.0003696", + "-0.0012069", + "-0.0036011", + "-0.0099473", + "-0.0253463", + "-0.0589274", + "-0.1193492", + "-0.1925773", + "-0.1739195", + "0.1367309", + "0.5469946", + "0.4340948", + "0.0771270", + "-0.0066024", + "0.0030490", + "-0.0015310", + "0.0004790", + "-0.0001268", + "0.0000525", + "-0.0000123", + "0.0000059" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000472", + "0.0001716", + "0.0005612", + "0.0016741", + "0.0046428", + "0.0118716", + "0.0279731", + "0.0578005", + "0.0979120", + "0.0948319", + "-0.0907361", + "-0.4943703", + "-0.5208176", + "0.3947302", + "0.8004875", + "0.2254258", + "0.0068723", + "0.0023169", + "-0.0004497", + "0.0001020", + "-0.0000315", + "0.0000149" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000054", + "-0.0000226", + "-0.0000824", + "-0.0002693", + "-0.0008036", + "-0.0022293", + "-0.0057093", + "-0.0134819", + "-0.0280219", + "-0.0479225", + "-0.0474206", + "0.0475960", + "0.2763940", + "0.3254088", + "-0.3348347", + "-0.9989243", + "-0.0474500", + "0.9502316", + "0.4644167", + "0.0217737", + "-0.0025013", + "0.0006099", + "-0.0002815" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000308", + "0.0001002", + "0.0003003", + "0.0008292", + "0.0021362", + "0.0050131", + "0.0105210", + "0.0178201", + "0.0181290", + "-0.0188469", + "-0.1047294", + "-0.1325310", + "0.1511568", + "0.4393162", + "0.0325092", + "-0.6872352", + "-0.4668546", + "0.7794661", + "0.5896570", + "0.0148165", + "-0.0048291" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000021", + "-0.0000076", + "-0.0000246", + "-0.0000740", + "-0.0002037", + "-0.0005263", + "-0.0012309", + "-0.0025951", + "-0.0043698", + "-0.0045014", + "0.0047431", + "0.0256459", + "0.0332944", + "-0.0388820", + "-0.1086632", + "-0.0117064", + "0.1889610", + "0.1274328", + "-0.2539936", + "-0.4031594", + "0.7173623", + "0.4622916" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.3776337e+05", + "3.2613639e+04", + "1.0596597e+04", + "4.0585516e+03", + "1.7267166e+03", + "7.9114959e+02", + "3.8292507e+02", + "1.9291386e+02", + "1.0014160e+02", + "5.2739798e+01", + "2.7972220e+01", + "1.5070610e+01", + "7.8994158e+00", + "4.0668432e+00", + "2.0539276e+00", + "9.0846565e-01", + "4.0402246e-01", + "1.6703306e-01" + ], + "coefficients": [ + [ + "0.0000374", + "0.0003333", + "0.0019353", + "0.0086503", + "0.0313873", + "0.0925306", + "0.2116116", + "0.3424177", + "0.3275468", + "0.1418127", + "0.0172472", + "0.0008934", + "-0.0003764", + "0.0000987", + "-0.0000894", + "0.0000342", + "-0.0000140", + "0.0000038" + ], + [ + "-0.0000183", + "-0.0001635", + "-0.0009523", + "-0.0042902", + "-0.0158343", + "-0.0482641", + "-0.1164957", + "-0.2023106", + "-0.1810356", + "0.1165249", + "0.5063820", + "0.4199329", + "0.0995481", + "0.0041656", + "0.0011017", + "-0.0002249", + "0.0000891", + "-0.0000229" + ], + [ + "0.0000086", + "0.0000772", + "0.0004491", + "0.0020314", + "0.0075083", + "0.0231165", + "0.0563273", + "0.1000752", + "0.0864674", + "-0.0911936", + "-0.3865531", + "-0.3005761", + "0.3346958", + "0.6322491", + "0.2686868", + "0.0215249", + "-0.0001951", + "0.0000936" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001500", + "-0.0006819", + "-0.0025102", + "-0.0077787", + "-0.0188908", + "-0.0339587", + "-0.0286318", + "0.0324017", + "0.1442744", + "0.1026609", + "-0.1601865", + "-0.3437472", + "-0.0935687", + "0.4576672", + "0.5719964", + "0.1580233" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.6439426e+03", + "1.4059506e+03", + "5.4996471e+02", + "2.4517064e+02", + "1.1802653e+02", + "5.9680782e+01", + "3.1014813e+01", + "1.6398888e+01", + "8.5761829e+00", + "4.3541394e+00", + "2.1282116e+00", + "9.2654176e-01" + ], + "coefficients": [ + [ + "0.0002334", + "0.0022924", + "0.0134257", + "0.0538960", + "0.1538122", + "0.3009907", + "0.3770638", + "0.2455696", + "0.0644939", + "0.0048402", + "0.0005139", + "0.0000662" + ], + [ + "-0.0001111", + "-0.0010904", + "-0.0064591", + "-0.0261752", + "-0.0765935", + "-0.1494774", + "-0.1727532", + "0.0045410", + "0.3354930", + "0.4720211", + "0.2729596", + "0.0493977" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.6739749e+02", + "1.2813902e+02", + "5.5001206e+01", + "2.5713333e+01", + "1.2641260e+01", + "6.2850027e+00", + "3.0751758e+00", + "1.4511998e+00", + "6.4202627e-01", + "2.5434436e-01" + ], + "coefficients": [ + [ + "0.0008395", + "0.0074910", + "0.0352970", + "0.1055692", + "0.2177916", + "0.3062364", + "0.3190782", + "0.2505199", + "0.1433113", + "0.0446066" + ] + ] + } + ] + }, + "68": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.0562254e+08", + "1.5812487e+07", + "3.5988299e+06", + "1.0198264e+06", + "3.3293614e+05", + "1.2031646e+05", + "4.6997124e+04", + "1.9532435e+04", + "8.5404724e+03", + "3.8949007e+03", + "1.8400363e+03", + "8.9502208e+02", + "4.4346917e+02", + "2.1194024e+02", + "1.1115825e+02", + "5.7876345e+01", + "2.8070600e+01", + "1.5509985e+01", + "8.0331969e+00", + "4.1491584e+00", + "2.1074546e+00", + "7.2334522e-01", + "3.1407679e-01", + "5.3228113e-02", + "2.2115990e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000729", + "0.0003076", + "0.0011195", + "0.0036423", + "0.0107978", + "0.0293133", + "0.0721771", + "0.1556511", + "0.2730309", + "0.3354228", + "0.2214001", + "0.0455548", + "-0.0024551", + "0.0017884", + "-0.0011501", + "0.0007521", + "-0.0004259", + "0.0002249", + "-0.0000843", + "0.0000238", + "-0.0000093", + "0.0000022", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000241", + "-0.0001016", + "-0.0003701", + "-0.0012086", + "-0.0036054", + "-0.0099581", + "-0.0253745", + "-0.0589992", + "-0.1195023", + "-0.1928160", + "-0.1740489", + "0.1373812", + "0.5476627", + "0.4335658", + "0.0765514", + "-0.0065803", + "0.0030222", + "-0.0015224", + "0.0004778", + "-0.0001259", + "0.0000518", + "-0.0000121", + "0.0000058" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000473", + "0.0001722", + "0.0005632", + "0.0016796", + "0.0046577", + "0.0119098", + "0.0280687", + "0.0580030", + "0.0982749", + "0.0951451", + "-0.0915048", + "-0.4972107", + "-0.5213937", + "0.4030039", + "0.7998828", + "0.2210803", + "0.0061478", + "0.0023691", + "-0.0004605", + "0.0001073", + "-0.0000325", + "0.0000153" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000054", + "-0.0000227", + "-0.0000827", + "-0.0002706", + "-0.0008073", + "-0.0022393", + "-0.0057355", + "-0.0135453", + "-0.0281606", + "-0.0481653", + "-0.0476650", + "0.0481287", + "0.2785727", + "0.3270173", + "-0.3454109", + "-1.0011287", + "-0.0303471", + "0.9511644", + "0.4559872", + "0.0211275", + "-0.0023984", + "0.0005880", + "-0.0002718" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000308", + "0.0001003", + "0.0003004", + "0.0008295", + "0.0021371", + "0.0050156", + "0.0105293", + "0.0178351", + "0.0181492", + "-0.0189815", + "-0.1051252", + "-0.1326995", + "0.1552652", + "0.4383465", + "0.0238380", + "-0.6875257", + "-0.4555955", + "0.7787978", + "0.5871572", + "0.0147204", + "-0.0048155" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000021", + "-0.0000075", + "-0.0000244", + "-0.0000734", + "-0.0002022", + "-0.0005224", + "-0.0012219", + "-0.0025767", + "-0.0043392", + "-0.0044707", + "0.0047380", + "0.0255419", + "0.0330687", + "-0.0395797", + "-0.1075626", + "-0.0093712", + "0.1873553", + "0.1232626", + "-0.2510537", + "-0.3990380", + "0.7150776", + "0.4626128" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.4192373e+05", + "3.3595374e+04", + "1.0914328e+04", + "4.1803881e+03", + "1.7785983e+03", + "8.1491522e+02", + "3.9441591e+02", + "1.9870030e+02", + "1.0314465e+02", + "5.4323554e+01", + "2.8843210e+01", + "1.5546450e+01", + "8.1490636e+00", + "4.1943551e+00", + "2.1165780e+00", + "9.3507148e-01", + "4.1496808e-01", + "1.7132105e-01" + ], + "coefficients": [ + [ + "0.0000374", + "0.0003340", + "0.0019391", + "0.0086668", + "0.0314524", + "0.0927393", + "0.2120984", + "0.3429557", + "0.3273024", + "0.1408944", + "0.0168723", + "0.0009128", + "-0.0003923", + "0.0001091", + "-0.0000925", + "0.0000356", + "-0.0000146", + "0.0000040" + ], + [ + "-0.0000184", + "-0.0001642", + "-0.0009567", + "-0.0043100", + "-0.0159111", + "-0.0485149", + "-0.1171336", + "-0.2033284", + "-0.1810285", + "0.1196133", + "0.5090312", + "0.4171009", + "0.0975658", + "0.0040355", + "0.0010841", + "-0.0002162", + "0.0000866", + "-0.0000222" + ], + [ + "0.0000087", + "0.0000777", + "0.0004519", + "0.0020443", + "0.0075581", + "0.0232790", + "0.0567478", + "0.1007881", + "0.0865673", + "-0.0936934", + "-0.3904700", + "-0.2961246", + "0.3421976", + "0.6304946", + "0.2642780", + "0.0208298", + "-0.0001594", + "0.0000870" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001500", + "-0.0006822", + "-0.0025121", + "-0.0077873", + "-0.0189216", + "-0.0340000", + "-0.0284953", + "0.0331192", + "0.1449068", + "0.1001514", + "-0.1625824", + "-0.3409732", + "-0.0885506", + "0.4571665", + "0.5699968", + "0.1586455" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.7841012e+03", + "1.4487385e+03", + "5.6690508e+02", + "2.5284013e+02", + "1.2180450e+02", + "6.1644414e+01", + "3.2071817e+01", + "1.6973252e+01", + "8.8830349e+00", + "4.5121426e+00", + "2.2051593e+00", + "9.5846681e-01" + ], + "coefficients": [ + [ + "0.0002354", + "0.0023110", + "0.0135280", + "0.0542732", + "0.1547136", + "0.3021528", + "0.3769232", + "0.2437026", + "0.0634505", + "0.0047847", + "0.0005331", + "0.0000758" + ], + [ + "-0.0001124", + "-0.0011033", + "-0.0065320", + "-0.0264626", + "-0.0773475", + "-0.1506785", + "-0.1728956", + "0.0077393", + "0.3385417", + "0.4708293", + "0.2703302", + "0.0485689" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.8157142e+02", + "1.3309115e+02", + "5.7126781e+01", + "2.6714963e+01", + "1.3134287e+01", + "6.5259340e+00", + "3.1886436e+00", + "1.5013681e+00", + "6.6205343e-01", + "2.6105850e-01" + ], + "coefficients": [ + [ + "0.0008494", + "0.0076020", + "0.0359098", + "0.1074262", + "0.2204365", + "0.3075830", + "0.3179443", + "0.2483103", + "0.1420028", + "0.0446069" + ] + ] + } + ] + }, + "69": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.0882746e+08", + "1.6296408e+07", + "3.7090742e+06", + "1.0509804e+06", + "3.4303538e+05", + "1.2393535e+05", + "4.8400486e+04", + "2.0113156e+04", + "8.7940662e+03", + "4.0105944e+03", + "1.8946682e+03", + "9.2153505e+02", + "4.5658024e+02", + "2.1814208e+02", + "1.1444732e+02", + "5.9629768e+01", + "2.8943380e+01", + "1.5982285e+01", + "8.2632932e+00", + "4.2724171e+00", + "2.1692634e+00", + "7.4362689e-01", + "3.2178101e-01", + "5.4107244e-02", + "2.2418398e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000138", + "0.0000728", + "0.0003073", + "0.0011190", + "0.0036416", + "0.0107981", + "0.0293159", + "0.0721823", + "0.1556639", + "0.2730876", + "0.3354955", + "0.2213423", + "0.0454609", + "-0.0024858", + "0.0017950", + "-0.0011511", + "0.0007508", + "-0.0004247", + "0.0002248", + "-0.0000841", + "0.0000237", + "-0.0000092", + "0.0000022", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000240", + "-0.0001016", + "-0.0003703", + "-0.0012094", + "-0.0036087", + "-0.0099682", + "-0.0254000", + "-0.0590639", + "-0.1196570", + "-0.1931090", + "-0.1741518", + "0.1384398", + "0.5484426", + "0.4326049", + "0.0758890", + "-0.0065250", + "0.0029831", + "-0.0015059", + "0.0004733", + "-0.0001241", + "0.0000508", + "-0.0000119", + "0.0000057" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000474", + "0.0001726", + "0.0005647", + "0.0016845", + "0.0046719", + "0.0119459", + "0.0281585", + "0.0582019", + "0.0986571", + "0.0954410", + "-0.0925684", + "-0.5002510", + "-0.5214281", + "0.4111057", + "0.7988527", + "0.2172002", + "0.0055596", + "0.0024049", + "-0.0004671", + "0.0001112", + "-0.0000332", + "0.0000157" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000054", + "-0.0000228", + "-0.0000830", + "-0.0002716", + "-0.0008106", + "-0.0022486", + "-0.0057597", + "-0.0136039", + "-0.0282929", + "-0.0484103", + "-0.0478920", + "0.0488082", + "0.2808461", + "0.3282161", + "-0.3557173", + "-1.0023680", + "-0.0148029", + "0.9513826", + "0.4487257", + "0.0205585", + "-0.0023145", + "0.0005696", + "-0.0002637" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000307", + "0.0001002", + "0.0003004", + "0.0008293", + "0.0021368", + "0.0050153", + "0.0105332", + "0.0178480", + "0.0181588", + "-0.0191657", + "-0.1055368", + "-0.1326806", + "0.1591834", + "0.4368331", + "0.0159926", + "-0.6867068", + "-0.4455142", + "0.7776965", + "0.5849709", + "0.0146530", + "-0.0048122" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000020", + "-0.0000075", + "-0.0000243", + "-0.0000728", + "-0.0002006", + "-0.0005184", + "-0.0012127", + "-0.0025583", + "-0.0043100", + "-0.0044393", + "0.0047467", + "0.0254518", + "0.0328123", + "-0.0402338", + "-0.1063765", + "-0.0072835", + "0.1855241", + "0.1195402", + "-0.2481473", + "-0.3951479", + "0.7131294", + "0.4626796" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.4623831e+05", + "3.4613764e+04", + "1.1243704e+04", + "4.3055685e+03", + "1.8315332e+03", + "8.3911931e+02", + "4.0612586e+02", + "2.0460698e+02", + "1.0621728e+02", + "5.5950842e+01", + "2.9736503e+01", + "1.6033291e+01", + "8.4034106e+00", + "4.3234725e+00", + "2.1795403e+00", + "9.6146112e-01", + "4.2572431e-01", + "1.7550517e-01" + ], + "coefficients": [ + [ + "0.0000375", + "0.0003342", + "0.0019410", + "0.0086803", + "0.0315126", + "0.0929306", + "0.2125350", + "0.3434250", + "0.3270612", + "0.1400733", + "0.0165544", + "0.0009231", + "-0.0004019", + "0.0001160", + "-0.0000939", + "0.0000363", + "-0.0000149", + "0.0000040" + ], + [ + "-0.0000184", + "-0.0001647", + "-0.0009601", + "-0.0043280", + "-0.0159841", + "-0.0487515", + "-0.1177323", + "-0.2042774", + "-0.1810448", + "0.1224385", + "0.5114626", + "0.4145209", + "0.0957495", + "0.0039162", + "0.0010680", + "-0.0002082", + "0.0000843", + "-0.0000216" + ], + [ + "0.0000087", + "0.0000781", + "0.0004542", + "0.0020559", + "0.0076048", + "0.0234303", + "0.0571389", + "0.1014466", + "0.0866688", + "-0.0960127", + "-0.3940604", + "-0.2918781", + "0.3491574", + "0.6287950", + "0.2601662", + "0.0201697", + "-0.0001276", + "0.0000806" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001499", + "-0.0006819", + "-0.0025123", + "-0.0077902", + "-0.0189376", + "-0.0340145", + "-0.0283541", + "0.0337544", + "0.1453677", + "0.0977335", + "-0.1646453", + "-0.3380960", + "-0.0838715", + "0.4565902", + "0.5681221", + "0.1592726" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.9953415e+03", + "1.5128069e+03", + "5.9194065e+02", + "2.6399909e+02", + "1.2717183e+02", + "6.4361935e+01", + "3.3488804e+01", + "1.7724098e+01", + "9.2740452e+00", + "4.7080722e+00", + "2.2983850e+00", + "9.9690384e-01" + ], + "coefficients": [ + [ + "0.0002301", + "0.0022625", + "0.0132761", + "0.0534827", + "0.1532582", + "0.3010902", + "0.3775371", + "0.2453262", + "0.0641875", + "0.0048994", + "0.0005642", + "0.0000844" + ], + [ + "-0.0001103", + "-0.0010836", + "-0.0064313", + "-0.0261609", + "-0.0768777", + "-0.1507640", + "-0.1740396", + "0.0063587", + "0.3382762", + "0.4711673", + "0.2710254", + "0.0487735" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.9257584e+02", + "1.3699007e+02", + "5.8840656e+01", + "2.7547196e+01", + "1.3558400e+01", + "6.7391137e+00", + "3.2918219e+00", + "1.5481857e+00", + "6.8129784e-01", + "2.6780896e-01" + ], + "coefficients": [ + [ + "0.0008774", + "0.0078468", + "0.0369598", + "0.1100535", + "0.2235935", + "0.3087634", + "0.3162617", + "0.2454722", + "0.1400774", + "0.0442011" + ] + ] + } + ] + }, + "70": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.1198427e+08", + "1.6766360e+07", + "3.8158293e+06", + "1.0811895e+06", + "3.5292996e+05", + "1.2753759e+05", + "4.9817050e+04", + "2.0703078e+04", + "9.0513529e+03", + "4.1274625e+03", + "1.9496820e+03", + "9.4823146e+02", + "4.6981422e+02", + "2.2445359e+02", + "1.1778044e+02", + "6.1404389e+01", + "2.9844449e+01", + "1.6466047e+01", + "8.4981141e+00", + "4.3974788e+00", + "2.2317276e+00", + "7.6356625e-01", + "3.2931684e-01", + "5.4969632e-02", + "2.2714740e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000138", + "0.0000728", + "0.0003075", + "0.0011194", + "0.0036417", + "0.0107967", + "0.0293153", + "0.0721968", + "0.1557200", + "0.2731958", + "0.3355464", + "0.2212115", + "0.0453504", + "-0.0025017", + "0.0017955", + "-0.0011480", + "0.0007456", + "-0.0004213", + "0.0002233", + "-0.0000833", + "0.0000233", + "-0.0000090", + "0.0000022", + "-0.0000010" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000241", + "-0.0001018", + "-0.0003708", + "-0.0012105", + "-0.0036115", + "-0.0099770", + "-0.0254285", + "-0.0591441", + "-0.1198395", + "-0.1933995", + "-0.1742146", + "0.1394788", + "0.5492956", + "0.4315810", + "0.0751865", + "-0.0063829", + "0.0029066", + "-0.0014706", + "0.0004616", + "-0.0001203", + "0.0000491", + "-0.0000115", + "0.0000055" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000476", + "0.0001732", + "0.0005663", + "0.0016890", + "0.0046851", + "0.0119825", + "0.0282534", + "0.0584114", + "0.0990298", + "0.0957137", + "-0.0936262", + "-0.5032605", + "-0.5214754", + "0.4186035", + "0.7980598", + "0.2136590", + "0.0050214", + "0.0024368", + "-0.0004723", + "0.0001147", + "-0.0000337", + "0.0000160" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000054", + "-0.0000229", + "-0.0000834", + "-0.0002726", + "-0.0008136", + "-0.0022571", + "-0.0057832", + "-0.0136627", + "-0.0284256", + "-0.0486433", + "-0.0480987", + "0.0494744", + "0.2830600", + "0.3293343", + "-0.3653060", + "-1.0033038", + "-0.0003378", + "0.9511653", + "0.4420980", + "0.0200357", + "-0.0022460", + "0.0005545", + "-0.0002570" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000307", + "0.0001001", + "0.0003001", + "0.0008286", + "0.0021358", + "0.0050140", + "0.0105347", + "0.0178520", + "0.0181564", + "-0.0193385", + "-0.1058956", + "-0.1325954", + "0.1626995", + "0.4350556", + "0.0087241", + "-0.6850757", + "-0.4360834", + "0.7763692", + "0.5828635", + "0.0145979", + "-0.0048110" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000020", + "-0.0000074", + "-0.0000241", + "-0.0000723", + "-0.0001990", + "-0.0005145", + "-0.0012039", + "-0.0025406", + "-0.0042808", + "-0.0044071", + "0.0047541", + "0.0253599", + "0.0325555", + "-0.0407927", + "-0.1051849", + "-0.0053671", + "0.1835548", + "0.1161178", + "-0.2453663", + "-0.3914355", + "0.7111526", + "0.4628926" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.5044923e+05", + "3.5609855e+04", + "1.1568597e+04", + "4.4306777e+03", + "1.8850131e+03", + "8.6370739e+02", + "4.1806663e+02", + "2.1065362e+02", + "1.0937402e+02", + "5.7627188e+01", + "3.0652508e+01", + "1.6527901e+01", + "8.6550740e+00", + "4.4493031e+00", + "2.2398777e+00", + "9.8664659e-01", + "4.3586458e-01", + "1.7940624e-01" + ], + "coefficients": [ + [ + "0.0000376", + "0.0003349", + "0.0019450", + "0.0086961", + "0.0315688", + "0.0930986", + "0.2128965", + "0.3437868", + "0.3268442", + "0.1393904", + "0.0162877", + "0.0009275", + "-0.0004075", + "0.0001209", + "-0.0000945", + "0.0000368", + "-0.0000150", + "0.0000041" + ], + [ + "-0.0000185", + "-0.0001655", + "-0.0009645", + "-0.0043467", + "-0.0160537", + "-0.0489713", + "-0.1182779", + "-0.2051338", + "-0.1811100", + "0.1249538", + "0.5137962", + "0.4122904", + "0.0939684", + "0.0037489", + "0.0010639", + "-0.0002061", + "0.0000843", + "-0.0000216" + ], + [ + "0.0000088", + "0.0000785", + "0.0004569", + "0.0020676", + "0.0076483", + "0.0235695", + "0.0574926", + "0.1020410", + "0.0867791", + "-0.0981007", + "-0.3974601", + "-0.2877144", + "0.3564576", + "0.6271202", + "0.2555895", + "0.0194198", + "-0.0000875", + "0.0000714" + ], + [ + "-0.0000029", + "-0.0000259", + "-0.0001498", + "-0.0006814", + "-0.0025107", + "-0.0077866", + "-0.0189345", + "-0.0339968", + "-0.0282075", + "0.0342861", + "0.1456970", + "0.0953409", + "-0.1667776", + "-0.3351398", + "-0.0788187", + "0.4563712", + "0.5660511", + "0.1595770" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.1270768e+03", + "1.5528676e+03", + "6.0767673e+02", + "2.7102491e+02", + "1.3058672e+02", + "6.6119289e+01", + "3.4432912e+01", + "1.8236085e+01", + "9.5476061e+00", + "4.8492574e+00", + "2.3673340e+00", + "1.0255241e+00" + ], + "coefficients": [ + [ + "0.0002334", + "0.0022945", + "0.0134615", + "0.0542007", + "0.1550252", + "0.3033236", + "0.3773683", + "0.2420711", + "0.0623405", + "0.0047551", + "0.0005750", + "0.0000920" + ], + [ + "-0.0001122", + "-0.0011023", + "-0.0065406", + "-0.0266021", + "-0.0780255", + "-0.1523927", + "-0.1737465", + "0.0115746", + "0.3428179", + "0.4692938", + "0.2668950", + "0.0474958" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.0901779e+02", + "1.4280188e+02", + "6.1368554e+01", + "2.8756903e+01", + "1.4163548e+01", + "7.0427476e+00", + "3.4394427e+00", + "1.6161458e+00", + "7.0980472e-01", + "2.7806373e-01" + ], + "coefficients": [ + [ + "0.0008762", + "0.0078575", + "0.0371400", + "0.1107609", + "0.2246219", + "0.3091748", + "0.3156191", + "0.2445971", + "0.1397762", + "0.0445038" + ] + ] + } + ] + }, + "71": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.1846664e+08", + "1.7733435e+07", + "4.0342694e+06", + "1.1420094e+06", + "3.7228612e+05", + "1.3429607e+05", + "5.2343260e+04", + "2.1699835e+04", + "9.4650443e+03", + "4.3090171e+03", + "2.0343714e+03", + "9.8999373e+02", + "4.9125801e+02", + "2.3643516e+02", + "1.2425432e+02", + "6.4834963e+01", + "3.1701870e+01", + "1.7626696e+01", + "9.2341069e+00", + "4.7360510e+00", + "2.4032966e+00", + "8.2900167e-01", + "3.6434422e-01", + "6.5263968e-02", + "2.6424416e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000134", + "0.0000704", + "0.0002979", + "0.0010867", + "0.0035457", + "0.0105494", + "0.0287586", + "0.0710878", + "0.1538121", + "0.2707948", + "0.3352083", + "0.2249033", + "0.0480668", + "-0.0022187", + "0.0017805", + "-0.0011546", + "0.0007561", + "-0.0004220", + "0.0002170", + "-0.0000816", + "0.0000236", + "-0.0000094", + "0.0000023", + "-0.0000010" + ], + [ + "-0.0000006", + "-0.0000044", + "-0.0000233", + "-0.0000987", + "-0.0003602", + "-0.0011794", + "-0.0035312", + "-0.0097896", + "-0.0250378", + "-0.0583485", + "-0.1184898", + "-0.1919602", + "-0.1771702", + "0.1242143", + "0.5407484", + "0.4458971", + "0.0830713", + "-0.0066738", + "0.0031347", + "-0.0015168", + "0.0004760", + "-0.0001280", + "0.0000537", + "-0.0000125", + "0.0000057" + ], + [ + "0.0000003", + "0.0000021", + "0.0000109", + "0.0000462", + "0.0001686", + "0.0005527", + "0.0016546", + "0.0046047", + "0.0118204", + "0.0279128", + "0.0578452", + "0.0983469", + "0.0974295", + "-0.0831916", + "-0.4901052", + "-0.5407217", + "0.3684757", + "0.8106112", + "0.2425483", + "0.0093806", + "0.0020759", + "-0.0003956", + "0.0000846", + "-0.0000273", + "0.0000124" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000053", + "-0.0000223", + "-0.0000814", + "-0.0002669", + "-0.0007993", + "-0.0022254", + "-0.0057205", + "-0.0135423", + "-0.0282215", + "-0.0484749", + "-0.0490212", + "0.0438813", + "0.2763387", + "0.3402434", + "-0.3173180", + "-1.0093825", + "-0.0837115", + "0.9474142", + "0.4848592", + "0.0234236", + "-0.0027793", + "0.0006574", + "-0.0002905" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000084", + "0.0000307", + "0.0001002", + "0.0003013", + "0.0008352", + "0.0021590", + "0.0050810", + "0.0106880", + "0.0181909", + "0.0188952", + "-0.0175816", + "-0.1057138", + "-0.1396455", + "0.1451397", + "0.4477583", + "0.0508611", + "-0.6858226", + "-0.4956380", + "0.7796246", + "0.5970077", + "0.0169405", + "-0.0051484" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000021", + "-0.0000078", + "-0.0000254", + "-0.0000764", + "-0.0002116", + "-0.0005479", + "-0.0012871", + "-0.0027141", + "-0.0046059", + "-0.0048169", + "0.0045224", + "0.0267934", + "0.0359377", + "-0.0380562", + "-0.1152464", + "-0.0151787", + "0.1917153", + "0.1445396", + "-0.2741148", + "-0.4041374", + "0.6877334", + "0.4982382" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.6424455e+05", + "3.8871265e+04", + "1.2620659e+04", + "4.8283571e+03", + "2.0510729e+03", + "9.3810573e+02", + "4.5331949e+02", + "2.2808443e+02", + "1.1833447e+02", + "6.2404942e+01", + "3.3097700e+01", + "1.7837320e+01", + "9.3525799e+00", + "4.8143668e+00", + "2.4321830e+00", + "1.0738023e+00", + "4.7945121e-01", + "1.9690784e-01" + ], + "coefficients": [ + [ + "0.0000339", + "0.0003027", + "0.0017624", + "0.0079228", + "0.0290113", + "0.0866991", + "0.2022475", + "0.3366599", + "0.3355603", + "0.1539380", + "0.0205728", + "0.0008509", + "-0.0003004", + "0.0000686", + "-0.0000743", + "0.0000286", + "-0.0000116", + "0.0000032" + ], + [ + "-0.0000168", + "-0.0001499", + "-0.0008758", + "-0.0039661", + "-0.0147668", + "-0.0455720", + "-0.1121516", + "-0.2003949", + "-0.1919422", + "0.0942211", + "0.4994788", + "0.4358088", + "0.1081088", + "0.0047197", + "0.0011992", + "-0.0002469", + "0.0000975", + "-0.0000262" + ], + [ + "0.0000080", + "0.0000714", + "0.0004165", + "0.0018934", + "0.0070601", + "0.0220026", + "0.0546761", + "0.0999369", + "0.0934134", + "-0.0790001", + "-0.3851675", + "-0.3193941", + "0.3183491", + "0.6370608", + "0.2800559", + "0.0229121", + "-0.0003863", + "0.0001442" + ], + [ + "-0.0000027", + "-0.0000243", + "-0.0001408", + "-0.0006438", + "-0.0023904", + "-0.0074994", + "-0.0185719", + "-0.0343488", + "-0.0314298", + "0.0285497", + "0.1456898", + "0.1116127", + "-0.1555973", + "-0.3505977", + "-0.1049621", + "0.4634004", + "0.5741771", + "0.1546922" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.0360036e+03", + "1.8277585e+03", + "7.1474137e+02", + "3.1882179e+02", + "1.5372893e+02", + "7.8038097e+01", + "4.0760324e+01", + "2.1720180e+01", + "1.1489398e+01", + "5.9215321e+00", + "2.9744240e+00", + "1.4082150e+00", + "5.5920607e-01", + "2.0894068e-01", + "7.1731323e-02" + ], + "coefficients": [ + [ + "0.0001746", + "0.0017337", + "0.0103715", + "0.0431732", + "0.1293795", + "0.2714547", + "0.3735000", + "0.2826660", + "0.0923552", + "0.0094161", + "0.0008600", + "0.0000846", + "0.0000429", + "-0.0000100", + "0.0000028" + ], + [ + "-0.0000846", + "-0.0008377", + "-0.0050702", + "-0.0212715", + "-0.0653586", + "-0.1378244", + "-0.1804136", + "-0.0492651", + "0.2742346", + "0.4681465", + "0.3251571", + "0.0833106", + "0.0043205", + "0.0001491", + "-0.0000118" + ], + [ + "0.0000169", + "0.0001694", + "0.0010181", + "0.0043076", + "0.0131873", + "0.0280638", + "0.0359750", + "0.0069051", + "-0.0691879", + "-0.1076002", + "-0.0653861", + "0.1388221", + "0.3963859", + "0.4745895", + "0.2578167" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.5879286e+02", + "1.6060340e+02", + "6.9200674e+01", + "3.2612240e+01", + "1.6160571e+01", + "8.1197145e+00", + "4.0203337e+00", + "1.9261366e+00", + "8.6855986e-01", + "3.5113151e-01" + ], + "coefficients": [ + [ + "0.0007440", + "0.0067843", + "0.0330631", + "0.1013547", + "0.2137842", + "0.3055979", + "0.3208797", + "0.2513328", + "0.1390906", + "0.0400324" + ] + ] + } + ] + }, + "72": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.2166206e+08", + "1.8214296e+07", + "4.1453609e+06", + "1.1742071e+06", + "3.8297943e+05", + "1.3818313e+05", + "5.3852238e+04", + "2.2321018e+04", + "9.7340775e+03", + "4.4301448e+03", + "2.0908168e+03", + "1.0172951e+03", + "5.0492228e+02", + "2.4321906e+02", + "1.2790429e+02", + "6.6815897e+01", + "3.2746241e+01", + "1.8223442e+01", + "9.5603751e+00", + "4.9141173e+00", + "2.5082920e+00", + "8.9119455e-01", + "3.9453085e-01", + "7.2768316e-02", + "2.8920022e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000134", + "0.0000705", + "0.0002978", + "0.0010859", + "0.0035435", + "0.0105469", + "0.0287592", + "0.0711132", + "0.1539451", + "0.2710549", + "0.3352382", + "0.2245524", + "0.0479347", + "-0.0021974", + "0.0017699", + "-0.0011503", + "0.0007549", + "-0.0004241", + "0.0002210", + "-0.0000851", + "0.0000251", + "-0.0000098", + "0.0000023", + "-0.0000010" + ], + [ + "-0.0000006", + "-0.0000044", + "-0.0000233", + "-0.0000987", + "-0.0003603", + "-0.0011796", + "-0.0035332", + "-0.0097978", + "-0.0250678", + "-0.0584532", + "-0.1187417", + "-0.1922611", + "-0.1770928", + "0.1247661", + "0.5406731", + "0.4455531", + "0.0831393", + "-0.0066066", + "0.0031261", + "-0.0015309", + "0.0004927", + "-0.0001351", + "0.0000558", + "-0.0000127", + "0.0000057" + ], + [ + "0.0000003", + "0.0000021", + "0.0000109", + "0.0000463", + "0.0001689", + "0.0005538", + "0.0016585", + "0.0046167", + "0.0118560", + "0.0280138", + "0.0580815", + "0.0987059", + "0.0976252", + "-0.0838693", + "-0.4916742", + "-0.5417586", + "0.3697340", + "0.8103381", + "0.2434032", + "0.0094389", + "0.0020846", + "-0.0004236", + "0.0000870", + "-0.0000278", + "0.0000122" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000053", + "-0.0000224", + "-0.0000818", + "-0.0002683", + "-0.0008038", + "-0.0022385", + "-0.0057565", + "-0.0136357", + "-0.0284316", + "-0.0488165", + "-0.0492981", + "0.0444229", + "0.2783724", + "0.3426101", + "-0.3211342", + "-1.0129678", + "-0.0848189", + "0.9502925", + "0.4844559", + "0.0239614", + "-0.0025994", + "0.0006183", + "-0.0002646" + ], + [ + "0.0000000", + "0.0000004", + "0.0000020", + "0.0000086", + "0.0000314", + "0.0001027", + "0.0003089", + "0.0008567", + "0.0022153", + "0.0052175", + "0.0109794", + "0.0186844", + "0.0193760", + "-0.0181415", + "-0.1086781", + "-0.1435106", + "0.1500226", + "0.4592243", + "0.0534085", + "-0.7080020", + "-0.5119708", + "0.7955415", + "0.5998260", + "0.0176339", + "-0.0051240" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000022", + "-0.0000081", + "-0.0000266", + "-0.0000799", + "-0.0002215", + "-0.0005732", + "-0.0013488", + "-0.0028425", + "-0.0048298", + "-0.0050297", + "0.0047369", + "0.0281589", + "0.0375854", + "-0.0399144", + "-0.1212463", + "-0.0154973", + "0.2018350", + "0.1552926", + "-0.2962032", + "-0.4014022", + "0.6727262", + "0.5170098" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.6829818e+05", + "3.9843794e+04", + "1.2951500e+04", + "4.9648301e+03", + "2.1150296e+03", + "9.7061298e+02", + "4.7059166e+02", + "2.3745133e+02", + "1.2348365e+02", + "6.5276927e+01", + "3.4662761e+01", + "1.8710962e+01", + "9.8394755e+00", + "5.0791956e+00", + "2.5788823e+00", + "1.1513438e+00", + "5.1880106e-01", + "2.1353781e-01" + ], + "coefficients": [ + [ + "0.0000342", + "0.0003047", + "0.0017688", + "0.0079156", + "0.0288242", + "0.0857322", + "0.1997004", + "0.3337677", + "0.3365586", + "0.1578813", + "0.0220443", + "0.0008248", + "-0.0002587", + "0.0000481", + "-0.0000663", + "0.0000259", + "-0.0000101", + "0.0000028" + ], + [ + "-0.0000169", + "-0.0001512", + "-0.0008810", + "-0.0039714", + "-0.0147054", + "-0.0451567", + "-0.1109469", + "-0.1989771", + "-0.1941935", + "0.0855302", + "0.4938844", + "0.4423315", + "0.1134235", + "0.0052427", + "0.0012207", + "-0.0002626", + "0.0000971", + "-0.0000274" + ], + [ + "0.0000081", + "0.0000723", + "0.0004207", + "0.0019036", + "0.0070603", + "0.0218906", + "0.0543160", + "0.0996236", + "0.0951715", + "-0.0740321", + "-0.3821572", + "-0.3293897", + "0.3043215", + "0.6404626", + "0.2887801", + "0.0243181", + "-0.0004030", + "0.0001607" + ], + [ + "-0.0000028", + "-0.0000252", + "-0.0001461", + "-0.0006648", + "-0.0024550", + "-0.0076631", + "-0.0189482", + "-0.0351699", + "-0.0329148", + "0.0275503", + "0.1486279", + "0.1189890", + "-0.1540884", + "-0.3639247", + "-0.1166021", + "0.4745369", + "0.5748168", + "0.1500102" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.0349192e+03", + "1.8271291e+03", + "7.1444587e+02", + "3.1856389e+02", + "1.5348733e+02", + "7.7806300e+01", + "4.0576980e+01", + "2.1571837e+01", + "1.1366004e+01", + "5.8295801e+00", + "2.9082038e+00", + "1.3522648e+00", + "5.7600208e-01", + "2.3113468e-01", + "8.4887016e-02" + ], + "coefficients": [ + [ + "0.0001872", + "0.0018571", + "0.0110757", + "0.0458525", + "0.1362441", + "0.2814256", + "0.3768212", + "0.2709241", + "0.0819858", + "0.0074538", + "0.0007688", + "0.0000365", + "0.0000410", + "-0.0000133", + "0.0000034" + ], + [ + "-0.0000913", + "-0.0009041", + "-0.0054564", + "-0.0227797", + "-0.0694311", + "-0.1439224", + "-0.1815753", + "-0.0306239", + "0.3016970", + "0.4745603", + "0.3017986", + "0.0646005", + "0.0018611", + "0.0005496", + "-0.0001195" + ], + [ + "0.0000207", + "0.0002044", + "0.0012358", + "0.0051654", + "0.0158039", + "0.0327711", + "0.0409803", + "0.0018630", + "-0.0836579", + "-0.1264736", + "-0.0526978", + "0.1816524", + "0.4231263", + "0.4409712", + "0.1971055" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.0390839e+02", + "1.7673863e+02", + "7.6295177e+01", + "3.6117092e+01", + "1.7982605e+01", + "9.1082382e+00", + "4.5584640e+00", + "2.2163010e+00", + "1.0181237e+00", + "4.1987149e-01" + ], + "coefficients": [ + [ + "0.0006618", + "0.0061108", + "0.0304351", + "0.0952047", + "0.2062742", + "0.3029948", + "0.3245742", + "0.2555684", + "0.1374221", + "0.0366973" + ] + ] + } + ] + }, + "73": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.2497639e+08", + "1.8709075e+07", + "4.2574534e+06", + "1.2060681e+06", + "3.9352923e+05", + "1.4204208e+05", + "5.5359004e+04", + "2.2941816e+04", + "1.0004369e+04", + "4.5538714e+03", + "2.1495382e+03", + "1.0458362e+03", + "5.1899112e+02", + "2.4978635e+02", + "1.3141806e+02", + "6.8705827e+01", + "3.3731145e+01", + "1.8768969e+01", + "9.8395020e+00", + "5.0794547e+00", + "2.6094975e+00", + "9.5383022e-01", + "4.2367025e-01", + "7.9326297e-02", + "3.1030467e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000134", + "0.0000706", + "0.0002981", + "0.0010861", + "0.0035432", + "0.0105492", + "0.0287725", + "0.0711311", + "0.1539339", + "0.2710544", + "0.3353281", + "0.2245666", + "0.0478344", + "-0.0022660", + "0.0017984", + "-0.0011706", + "0.0007710", + "-0.0004374", + "0.0002323", + "-0.0000913", + "0.0000274", + "-0.0000105", + "0.0000024", + "-0.0000010" + ], + [ + "-0.0000006", + "-0.0000044", + "-0.0000234", + "-0.0000989", + "-0.0003606", + "-0.0011804", + "-0.0035366", + "-0.0098103", + "-0.0250944", + "-0.0585021", + "-0.1188475", + "-0.1925322", + "-0.1772010", + "0.1259573", + "0.5414375", + "0.4443504", + "0.0825383", + "-0.0064990", + "0.0030920", + "-0.0015437", + "0.0005090", + "-0.0001411", + "0.0000570", + "-0.0000127", + "0.0000055" + ], + [ + "0.0000003", + "0.0000021", + "0.0000110", + "0.0000465", + "0.0001693", + "0.0005551", + "0.0016630", + "0.0046305", + "0.0118891", + "0.0280871", + "0.0582400", + "0.0990406", + "0.0979041", + "-0.0849966", + "-0.4943859", + "-0.5417152", + "0.3754554", + "0.8097171", + "0.2413141", + "0.0088145", + "0.0021893", + "-0.0004764", + "0.0000972", + "-0.0000299", + "0.0000129" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000053", + "-0.0000226", + "-0.0000823", + "-0.0002698", + "-0.0008087", + "-0.0022528", + "-0.0057926", + "-0.0137178", + "-0.0286099", + "-0.0491518", + "-0.0496323", + "0.0452376", + "0.2811151", + "0.3446036", + "-0.3295976", + "-1.0173500", + "-0.0780236", + "0.9548296", + "0.4795282", + "0.0241727", + "-0.0023496", + "0.0005709", + "-0.0002386" + ], + [ + "0.0000001", + "0.0000004", + "0.0000021", + "0.0000088", + "0.0000322", + "0.0001052", + "0.0003165", + "0.0008778", + "0.0022695", + "0.0053439", + "0.0112482", + "0.0191549", + "0.0198617", + "-0.0188052", + "-0.1118065", + "-0.1471524", + "0.1570517", + "0.4705221", + "0.0524148", + "-0.7341380", + "-0.5208411", + "0.8134925", + "0.5999724", + "0.0177452", + "-0.0050002" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000023", + "-0.0000084", + "-0.0000275", + "-0.0000826", + "-0.0002291", + "-0.0005926", + "-0.0013947", + "-0.0029385", + "-0.0050000", + "-0.0051993", + "0.0049435", + "0.0292783", + "0.0388612", + "-0.0420774", + "-0.1258423", + "-0.0150761", + "0.2119034", + "0.1614659", + "-0.3143475", + "-0.3951091", + "0.6620171", + "0.5288923" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.7311924e+05", + "4.0976337e+04", + "1.3311297e+04", + "5.0981806e+03", + "2.1696149e+03", + "9.9499769e+02", + "4.8243733e+02", + "2.4364104e+02", + "1.2688581e+02", + "6.7197293e+01", + "3.5765248e+01", + "1.9342274e+01", + "1.0196986e+01", + "5.2797790e+00", + "2.6950040e+00", + "1.2217910e+00", + "5.5471073e-01", + "2.2909015e-01" + ], + "coefficients": [ + [ + "0.0000342", + "0.0003050", + "0.0017733", + "0.0079516", + "0.0290033", + "0.0862664", + "0.2005271", + "0.3339350", + "0.3355043", + "0.1570987", + "0.0219582", + "0.0008290", + "-0.0002627", + "0.0000508", + "-0.0000679", + "0.0000273", + "-0.0000103", + "0.0000029" + ], + [ + "-0.0000170", + "-0.0001517", + "-0.0008852", + "-0.0039984", + "-0.0148309", + "-0.0455538", + "-0.1117204", + "-0.1996764", + "-0.1937687", + "0.0867743", + "0.4939849", + "0.4412593", + "0.1136438", + "0.0053282", + "0.0012012", + "-0.0002742", + "0.0000931", + "-0.0000277" + ], + [ + "0.0000081", + "0.0000728", + "0.0004245", + "0.0019247", + "0.0071519", + "0.0221794", + "0.0549475", + "0.1004347", + "0.0953615", + "-0.0754309", + "-0.3847685", + "-0.3295929", + "0.3046326", + "0.6418671", + "0.2876012", + "0.0242117", + "-0.0002348", + "0.0001406" + ], + [ + "-0.0000029", + "-0.0000260", + "-0.0001510", + "-0.0006883", + "-0.0025471", + "-0.0079512", + "-0.0196355", + "-0.0363151", + "-0.0337840", + "0.0288225", + "0.1535021", + "0.1220241", + "-0.1588242", + "-0.3771282", + "-0.1183889", + "0.4894186", + "0.5711361", + "0.1437301" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.2654539e+03", + "1.8977614e+03", + "7.4230032e+02", + "3.3102521e+02", + "1.5949985e+02", + "8.0862279e+01", + "4.2182829e+01", + "2.2435260e+01", + "1.1830056e+01", + "6.0751863e+00", + "3.0377689e+00", + "1.4116516e+00", + "6.1963229e-01", + "2.5664676e-01", + "9.6927741e-02" + ], + "coefficients": [ + [ + "0.0001845", + "0.0018292", + "0.0109211", + "0.0453415", + "0.1352262", + "0.2805253", + "0.3770281", + "0.2720030", + "0.0827109", + "0.0075504", + "0.0007585", + "0.0000213", + "0.0000398", + "-0.0000151", + "0.0000036" + ], + [ + "-0.0000907", + "-0.0008973", + "-0.0054207", + "-0.0226975", + "-0.0694382", + "-0.1446486", + "-0.1832583", + "-0.0317607", + "0.3027683", + "0.4770315", + "0.3001316", + "0.0616057", + "0.0012415", + "0.0006754", + "-0.0001516" + ], + [ + "0.0000222", + "0.0002189", + "0.0013283", + "0.0055572", + "0.0171036", + "0.0355568", + "0.0448278", + "0.0018125", + "-0.0908142", + "-0.1394336", + "-0.0522760", + "0.2040393", + "0.4371332", + "0.4201776", + "0.1700245" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.5085013e+02", + "1.9351005e+02", + "8.3635808e+01", + "3.9739744e+01", + "1.9864966e+01", + "1.0128876e+01", + "5.1127493e+00", + "2.5141746e+00", + "1.1710431e+00", + "4.8963956e-01" + ], + "coefficients": [ + [ + "0.0005926", + "0.0055390", + "0.0281496", + "0.0897698", + "0.1992351", + "0.3003151", + "0.3280402", + "0.2598527", + "0.1365158", + "0.0343985" + ] + ] + } + ] + }, + "74": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.2849758e+08", + "1.9236655e+07", + "4.3776005e+06", + "1.2398133e+06", + "4.0443453e+05", + "1.4597464e+05", + "5.6902027e+04", + "2.3584078e+04", + "1.0282854e+04", + "4.6793568e+03", + "2.2084054e+03", + "1.0744482e+03", + "5.3317225e+02", + "2.5644828e+02", + "1.3491529e+02", + "7.0541508e+01", + "3.4560049e+01", + "1.9215001e+01", + "1.0043426e+01", + "5.2142682e+00", + "2.6967183e+00", + "1.0164267e+00", + "4.5192584e-01", + "8.5171497e-02", + "3.2855852e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000134", + "0.0000705", + "0.0002980", + "0.0010862", + "0.0035427", + "0.0105441", + "0.0287622", + "0.0711431", + "0.1540092", + "0.2711617", + "0.3353592", + "0.2244899", + "0.0477168", + "-0.0023150", + "0.0018094", + "-0.0011786", + "0.0007815", + "-0.0004496", + "0.0002451", + "-0.0000987", + "0.0000300", + "-0.0000111", + "0.0000025", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000044", + "-0.0000234", + "-0.0000990", + "-0.0003609", + "-0.0011811", + "-0.0035376", + "-0.0098142", + "-0.0251182", + "-0.0585803", + "-0.1190128", + "-0.1927772", + "-0.1772790", + "0.1272776", + "0.5427247", + "0.4432429", + "0.0814947", + "-0.0067584", + "0.0032042", + "-0.0016390", + "0.0005607", + "-0.0001579", + "0.0000616", + "-0.0000133", + "0.0000057" + ], + [ + "0.0000003", + "0.0000021", + "0.0000110", + "0.0000466", + "0.0001698", + "0.0005564", + "0.0016661", + "0.0046404", + "0.0119197", + "0.0281752", + "0.0584200", + "0.0993739", + "0.0981274", + "-0.0861080", + "-0.4979438", + "-0.5408863", + "0.3883372", + "0.8074190", + "0.2345305", + "0.0074407", + "0.0023506", + "-0.0005473", + "0.0001115", + "-0.0000327", + "0.0000138" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000054", + "-0.0000227", + "-0.0000828", + "-0.0002714", + "-0.0008131", + "-0.0022654", + "-0.0058283", + "-0.0138085", + "-0.0288042", + "-0.0494902", + "-0.0499534", + "0.0460759", + "0.2843506", + "0.3463429", + "-0.3457602", + "-1.0219127", + "-0.0572815", + "0.9623159", + "0.4658557", + "0.0237033", + "-0.0019681", + "0.0005035", + "-0.0002065" + ], + [ + "0.0000001", + "0.0000004", + "0.0000021", + "0.0000090", + "0.0000329", + "0.0001076", + "0.0003234", + "0.0008973", + "0.0023213", + "0.0054683", + "0.0115122", + "0.0196072", + "0.0203240", + "-0.0194686", + "-0.1150462", + "-0.1505400", + "0.1676706", + "0.4816643", + "0.0440014", + "-0.7665730", + "-0.5180259", + "0.8333671", + "0.5976278", + "0.0174722", + "-0.0048210" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000024", + "-0.0000086", + "-0.0000281", + "-0.0000847", + "-0.0002348", + "-0.0006077", + "-0.0014312", + "-0.0030151", + "-0.0051335", + "-0.0053321", + "0.0051245", + "0.0302353", + "0.0398479", + "-0.0450015", + "-0.1295219", + "-0.0127003", + "0.2230427", + "0.1624491", + "-0.3298337", + "-0.3865752", + "0.6542330", + "0.5363129" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.7699917e+05", + "4.1899816e+04", + "1.3613534e+04", + "5.2161290e+03", + "2.2214784e+03", + "1.0195441e+03", + "4.9460838e+02", + "2.4989521e+02", + "1.3019885e+02", + "6.8993555e+01", + "3.6792700e+01", + "1.9930615e+01", + "1.0532714e+01", + "5.4713985e+00", + "2.8076499e+00", + "1.2939189e+00", + "5.9134063e-01", + "2.4521518e-01" + ], + "coefficients": [ + [ + "0.0000345", + "0.0003080", + "0.0017901", + "0.0080163", + "0.0291882", + "0.0866911", + "0.2012561", + "0.3344890", + "0.3348992", + "0.1559293", + "0.0215725", + "0.0008597", + "-0.0002882", + "0.0000653", + "-0.0000750", + "0.0000314", + "-0.0000114", + "0.0000033" + ], + [ + "-0.0000172", + "-0.0001535", + "-0.0008954", + "-0.0040398", + "-0.0149594", + "-0.0458921", + "-0.1124271", + "-0.2006021", + "-0.1934559", + "0.0894341", + "0.4953707", + "0.4388549", + "0.1128574", + "0.0053236", + "0.0011723", + "-0.0002851", + "0.0000878", + "-0.0000277" + ], + [ + "0.0000083", + "0.0000740", + "0.0004313", + "0.0019531", + "0.0072462", + "0.0224446", + "0.0555547", + "0.1013789", + "0.0955908", + "-0.0778014", + "-0.3886275", + "-0.3280604", + "0.3077467", + "0.6430438", + "0.2843821", + "0.0238355", + "-0.0000106", + "0.0001144" + ], + [ + "-0.0000030", + "-0.0000270", + "-0.0001568", + "-0.0007135", + "-0.0026370", + "-0.0082204", + "-0.0202883", + "-0.0374524", + "-0.0346129", + "0.0304643", + "0.1586465", + "0.1240881", + "-0.1647705", + "-0.3900002", + "-0.1175612", + "0.5028064", + "0.5670625", + "0.1387956" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.4543892e+03", + "1.9552528e+03", + "7.6499364e+02", + "3.4135235e+02", + "1.6464276e+02", + "8.3584115e+01", + "4.3677750e+01", + "2.3270553e+01", + "1.2294825e+01", + "6.3295906e+00", + "3.1785329e+00", + "1.4823192e+00", + "6.6335734e-01", + "2.8046969e-01", + "1.0793753e-01" + ], + "coefficients": [ + [ + "0.0001847", + "0.0018319", + "0.0109338", + "0.0453626", + "0.1351647", + "0.2801896", + "0.3765083", + "0.2719117", + "0.0830909", + "0.0076414", + "0.0007445", + "0.0000099", + "0.0000381", + "-0.0000163", + "0.0000037" + ], + [ + "-0.0000915", + "-0.0009055", + "-0.0054682", + "-0.0228873", + "-0.0699506", + "-0.1456701", + "-0.1844292", + "-0.0319704", + "0.3038037", + "0.4786329", + "0.2981012", + "0.0594116", + "0.0008961", + "0.0007088", + "-0.0001684" + ], + [ + "0.0000238", + "0.0002344", + "0.0014235", + "0.0059469", + "0.0183080", + "0.0380009", + "0.0479668", + "0.0015768", + "-0.0970664", + "-0.1502101", + "-0.0517008", + "0.2237362", + "0.4471422", + "0.4021105", + "0.1508213" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.9085235e+02", + "2.0781645e+02", + "8.9934500e+01", + "4.2860106e+01", + "2.1490232e+01", + "1.1011311e+01", + "5.5972736e+00", + "2.7802075e+00", + "1.3109960e+00", + "5.5470168e-01" + ], + "coefficients": [ + [ + "0.0005544", + "0.0052229", + "0.0268702", + "0.0868088", + "0.1955965", + "0.2994535", + "0.3303337", + "0.2610485", + "0.1334637", + "0.0317587" + ] + ] + } + ] + }, + "75": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.3060695e+08", + "1.9560537e+07", + "4.4545431e+06", + "1.2630647e+06", + "4.1265993e+05", + "1.4923717e+05", + "5.8323686e+04", + "2.4232295e+04", + "1.0578182e+04", + "4.8113978e+03", + "2.2667677e+03", + "1.1005169e+03", + "5.4503883e+02", + "2.6101687e+02", + "1.3727600e+02", + "7.1810193e+01", + "3.5164629e+01", + "1.9477701e+01", + "1.0098672e+01", + "5.2865356e+00", + "2.7506006e+00", + "1.0780204e+00", + "4.7881138e-01", + "9.0145124e-02", + "3.4356200e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000136", + "0.0000713", + "0.0003008", + "0.0010937", + "0.0035555", + "0.0105419", + "0.0286893", + "0.0710045", + "0.1541356", + "0.2721043", + "0.3363402", + "0.2237702", + "0.0467177", + "-0.0025106", + "0.0018529", + "-0.0012008", + "0.0007958", + "-0.0004663", + "0.0002640", + "-0.0001095", + "0.0000340", + "-0.0000120", + "0.0000026", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000237", + "-0.0001000", + "-0.0003636", + "-0.0011864", + "-0.0035393", + "-0.0097973", + "-0.0250842", + "-0.0586751", + "-0.1195424", + "-0.1938649", + "-0.1767945", + "0.1340943", + "0.5470204", + "0.4366094", + "0.0777655", + "-0.0065436", + "0.0030884", + "-0.0016509", + "0.0005870", + "-0.0001686", + "0.0000628", + "-0.0000132", + "0.0000056" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000471", + "0.0001713", + "0.0005598", + "0.0016695", + "0.0046401", + "0.0119221", + "0.0282692", + "0.0587791", + "0.1001568", + "0.0981026", + "-0.0912338", + "-0.5065621", + "-0.5337149", + "0.4157551", + "0.8019310", + "0.2201185", + "0.0045951", + "0.0027004", + "-0.0006803", + "0.0001428", + "-0.0000385", + "0.0000162" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000055", + "-0.0000231", + "-0.0000839", + "-0.0002740", + "-0.0008178", + "-0.0022731", + "-0.0058512", + "-0.0139023", + "-0.0290933", + "-0.0500528", + "-0.0501819", + "0.0491631", + "0.2907281", + "0.3449702", + "-0.3771464", + "-1.0255082", + "-0.0113937", + "0.9740216", + "0.4360977", + "0.0219128", + "-0.0013459", + "0.0003970", + "-0.0001602" + ], + [ + "0.0000001", + "0.0000004", + "0.0000022", + "0.0000093", + "0.0000338", + "0.0001102", + "0.0003302", + "0.0009138", + "0.0023651", + "0.0055881", + "0.0118006", + "0.0201320", + "0.0207198", + "-0.0210336", + "-0.1195396", + "-0.1524825", + "0.1854625", + "0.4925518", + "0.0208049", + "-0.8093021", + "-0.4951281", + "0.8558136", + "0.5923782", + "0.0168329", + "-0.0045936" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000024", + "-0.0000088", + "-0.0000287", + "-0.0000861", + "-0.0002383", + "-0.0006168", + "-0.0014571", + "-0.0030784", + "-0.0052517", + "-0.0054131", + "0.0055096", + "0.0313174", + "0.0402044", + "-0.0495694", + "-0.1322506", + "-0.0062751", + "0.2363166", + "0.1556218", + "-0.3426288", + "-0.3756179", + "0.6477983", + "0.5408440" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.8219798e+05", + "4.3108835e+04", + "1.3994826e+04", + "5.3560179e+03", + "2.2787301e+03", + "1.0454210e+03", + "5.0733471e+02", + "2.5653412e+02", + "1.3378863e+02", + "7.0976301e+01", + "3.7915334e+01", + "2.0570191e+01", + "1.0898917e+01", + "5.6811178e+00", + "2.9304273e+00", + "1.3687663e+00", + "6.2872480e-01", + "2.6190734e-01" + ], + "coefficients": [ + [ + "0.0000345", + "0.0003078", + "0.0017921", + "0.0080440", + "0.0293279", + "0.0870597", + "0.2017417", + "0.3345576", + "0.3342850", + "0.1553930", + "0.0214644", + "0.0008698", + "-0.0002986", + "0.0000715", + "-0.0000783", + "0.0000337", + "-0.0000117", + "0.0000034" + ], + [ + "-0.0000172", + "-0.0001537", + "-0.0008982", + "-0.0040622", + "-0.0150635", + "-0.0461952", + "-0.1129867", + "-0.2011866", + "-0.1933297", + "0.0905833", + "0.4958567", + "0.4376370", + "0.1128406", + "0.0054086", + "0.0011384", + "-0.0002918", + "0.0000807", + "-0.0000274" + ], + [ + "0.0000083", + "0.0000745", + "0.0004346", + "0.0019726", + "0.0073297", + "0.0226950", + "0.0560959", + "0.1021562", + "0.0959560", + "-0.0792012", + "-0.3916478", + "-0.3281308", + "0.3085979", + "0.6445777", + "0.2827476", + "0.0237413", + "0.0001671", + "0.0001024" + ], + [ + "-0.0000031", + "-0.0000277", + "-0.0001610", + "-0.0007345", + "-0.0027193", + "-0.0084724", + "-0.0208865", + "-0.0384717", + "-0.0354290", + "0.0316982", + "0.1632219", + "0.1265971", + "-0.1693045", + "-0.4024835", + "-0.1170734", + "0.5144023", + "0.5633829", + "0.1350258" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.6956591e+03", + "2.0290588e+03", + "7.9440978e+02", + "3.5482766e+02", + "1.7135568e+02", + "8.7119869e+01", + "4.5602527e+01", + "2.4342588e+01", + "1.2893866e+01", + "6.6598030e+00", + "3.3634377e+00", + "1.5815361e+00", + "7.1853721e-01", + "3.0882783e-01", + "1.2076268e-01" + ], + "coefficients": [ + [ + "0.0001819", + "0.0018039", + "0.0107630", + "0.0446830", + "0.1333972", + "0.2776771", + "0.3756352", + "0.2745003", + "0.0855725", + "0.0080921", + "0.0007453", + "0.0000036", + "0.0000381", + "-0.0000165", + "0.0000040" + ], + [ + "-0.0000908", + "-0.0008985", + "-0.0054235", + "-0.0227180", + "-0.0695601", + "-0.1455804", + "-0.1858959", + "-0.0362626", + "0.2999648", + "0.4800139", + "0.3002831", + "0.0597575", + "0.0008044", + "0.0006337", + "-0.0001999" + ], + [ + "0.0000248", + "0.0002444", + "0.0014841", + "0.0062026", + "0.0191408", + "0.0399133", + "0.0508588", + "0.0026995", + "-0.1013848", + "-0.1596849", + "-0.0546590", + "0.2358309", + "0.4544809", + "0.3901636", + "0.1375101" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.4012808e+02", + "2.2546237e+02", + "9.7690492e+01", + "4.6704058e+01", + "2.3489787e+01", + "1.2093267e+01", + "6.1836405e+00", + "3.0949722e+00", + "1.4719933e+00", + "6.2724822e-01" + ], + "coefficients": [ + [ + "0.0005035", + "0.0047899", + "0.0250288", + "0.0822737", + "0.1892644", + "0.2966952", + "0.3333180", + "0.2653495", + "0.1336218", + "0.0306092" + ] + ] + } + ] + }, + "76": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.3376601e+08", + "2.0032423e+07", + "4.5630469e+06", + "1.2942554e+06", + "4.2308359e+05", + "1.5310162e+05", + "5.9860617e+04", + "2.4877257e+04", + "1.0862223e+04", + "4.9416239e+03", + "2.3282413e+03", + "1.1300959e+03", + "5.5945961e+02", + "2.6766432e+02", + "1.4077173e+02", + "7.3661060e+01", + "3.6040362e+01", + "1.9933301e+01", + "1.0290846e+01", + "5.4134237e+00", + "2.8277180e+00", + "1.1416405e+00", + "5.0777372e-01", + "9.6518439e-02", + "3.6345283e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000136", + "0.0000715", + "0.0003015", + "0.0010952", + "0.0035578", + "0.0105453", + "0.0286920", + "0.0709919", + "0.1540917", + "0.2721343", + "0.3365381", + "0.2237710", + "0.0465517", + "-0.0025582", + "0.0018610", + "-0.0012033", + "0.0007985", + "-0.0004736", + "0.0002748", + "-0.0001167", + "0.0000370", + "-0.0000127", + "0.0000027", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000238", + "-0.0001003", + "-0.0003644", + "-0.0011880", + "-0.0035430", + "-0.0098056", + "-0.0250982", + "-0.0587049", + "-0.1196499", + "-0.1941828", + "-0.1769012", + "0.1356998", + "0.5482716", + "0.4351324", + "0.0767209", + "-0.0066176", + "0.0031259", + "-0.0017133", + "0.0006294", + "-0.0001848", + "0.0000665", + "-0.0000136", + "0.0000057" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000473", + "0.0001719", + "0.0005614", + "0.0016739", + "0.0046515", + "0.0119472", + "0.0283308", + "0.0589267", + "0.1005123", + "0.0983457", + "-0.0926054", + "-0.5100728", + "-0.5325171", + "0.4275152", + "0.8000271", + "0.2140171", + "0.0031148", + "0.0029101", + "-0.0007747", + "0.0001618", + "-0.0000419", + "0.0000173" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000055", + "-0.0000233", + "-0.0000845", + "-0.0002758", + "-0.0008229", + "-0.0022869", + "-0.0058852", + "-0.0139824", + "-0.0292765", + "-0.0504126", + "-0.0505196", + "0.0501660", + "0.2940580", + "0.3464861", + "-0.3927665", + "-1.0300112", + "0.0108938", + "0.9837108", + "0.4185037", + "0.0209523", + "-0.0009516", + "0.0003379", + "-0.0001333" + ], + [ + "0.0000001", + "0.0000004", + "0.0000023", + "0.0000095", + "0.0000346", + "0.0001125", + "0.0003370", + "0.0009327", + "0.0024133", + "0.0057023", + "0.0120472", + "0.0205750", + "0.0211613", + "-0.0217615", + "-0.1227823", + "-0.1555465", + "0.1961087", + "0.5035661", + "0.0098287", + "-0.8469424", + "-0.4819199", + "0.8756905", + "0.5879464", + "0.0165674", + "-0.0044081" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000025", + "-0.0000090", + "-0.0000294", + "-0.0000882", + "-0.0002441", + "-0.0006315", + "-0.0014923", + "-0.0031533", + "-0.0053878", + "-0.0055449", + "0.0057120", + "0.0323106", + "0.0411358", + "-0.0525557", + "-0.1360780", + "-0.0030628", + "0.2495610", + "0.1530741", + "-0.3575013", + "-0.3685959", + "0.6427313", + "0.5464357" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.8693893e+05", + "4.4230520e+04", + "1.4360715e+04", + "5.4959648e+03", + "2.3375221e+03", + "1.0717407e+03", + "5.1974680e+02", + "2.6271116e+02", + "1.3702788e+02", + "7.2742022e+01", + "3.8934151e+01", + "2.1152103e+01", + "1.1225961e+01", + "5.8686302e+00", + "3.0393503e+00", + "1.4412385e+00", + "6.6564254e-01", + "2.7788313e-01" + ], + "coefficients": [ + [ + "0.0000346", + "0.0003086", + "0.0017965", + "0.0080665", + "0.0294391", + "0.0874896", + "0.2027665", + "0.3354936", + "0.3335416", + "0.1538944", + "0.0210132", + "0.0008872", + "-0.0003190", + "0.0000829", + "-0.0000838", + "0.0000373", + "-0.0000125", + "0.0000037" + ], + [ + "-0.0000173", + "-0.0001544", + "-0.0009022", + "-0.0040819", + "-0.0151519", + "-0.0465298", + "-0.1138493", + "-0.2023348", + "-0.1927976", + "0.0938753", + "0.4975494", + "0.4349996", + "0.1115944", + "0.0052858", + "0.0011151", + "-0.0003079", + "0.0000772", + "-0.0000279" + ], + [ + "0.0000084", + "0.0000751", + "0.0004385", + "0.0019910", + "0.0074062", + "0.0229635", + "0.0567938", + "0.1032360", + "0.0960605", + "-0.0820324", + "-0.3959132", + "-0.3260424", + "0.3138128", + "0.6463089", + "0.2774935", + "0.0229630", + "0.0004175", + "0.0000754" + ], + [ + "-0.0000032", + "-0.0000285", + "-0.0001655", + "-0.0007551", + "-0.0027995", + "-0.0087324", + "-0.0215485", + "-0.0396057", + "-0.0361456", + "0.0335463", + "0.1683370", + "0.1281073", + "-0.1763071", + "-0.4156072", + "-0.1121927", + "0.5275819", + "0.5583103", + "0.1298780" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.8673251e+03", + "2.0810036e+03", + "8.1494419e+02", + "3.6415828e+02", + "1.7594450e+02", + "8.9471304e+01", + "4.6835578e+01", + "2.4997151e+01", + "1.3242455e+01", + "6.8500477e+00", + "3.4733988e+00", + "1.6405184e+00", + "7.4884941e-01", + "3.2238319e-01", + "1.2612562e-01" + ], + "coefficients": [ + [ + "0.0001836", + "0.0018208", + "0.0108562", + "0.0450248", + "0.1343048", + "0.2792563", + "0.3764191", + "0.2724810", + "0.0837439", + "0.0077503", + "0.0007138", + "-0.0000099", + "0.0000340", + "-0.0000182", + "0.0000033" + ], + [ + "-0.0000923", + "-0.0009138", + "-0.0055111", + "-0.0230688", + "-0.0705783", + "-0.1475675", + "-0.1873438", + "-0.0326178", + "0.3068143", + "0.4816159", + "0.2925639", + "0.0556856", + "0.0007572", + "0.0006873", + "-0.0001421" + ], + [ + "0.0000262", + "0.0002581", + "0.0015677", + "0.0065433", + "0.0201928", + "0.0420321", + "0.0532892", + "0.0011695", + "-0.1079970", + "-0.1682097", + "-0.0484154", + "0.2586349", + "0.4576214", + "0.3731646", + "0.1282424" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.9829515e+02", + "2.4630657e+02", + "1.0686247e+02", + "5.1229795e+01", + "2.5812397e+01", + "1.3328885e+01", + "6.8413993e+00", + "3.4422826e+00", + "1.6475998e+00", + "7.0545638e-01" + ], + "coefficients": [ + [ + "0.0004477", + "0.0043045", + "0.0228824", + "0.0769289", + "0.1816948", + "0.2932938", + "0.3368589", + "0.2712477", + "0.1352529", + "0.0299722" + ] + ] + } + ] + }, + "77": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.3763486e+08", + "2.0601749e+07", + "4.6863309e+06", + "1.3270295e+06", + "4.3311942e+05", + "1.5657201e+05", + "6.1185942e+04", + "2.5427266e+04", + "1.1105991e+04", + "5.0539860e+03", + "2.3813198e+03", + "1.1558055e+03", + "5.7223325e+02", + "2.7362885e+02", + "1.4396319e+02", + "7.5415362e+01", + "3.6975407e+01", + "2.0428387e+01", + "1.0519240e+01", + "5.5569579e+00", + "2.9103291e+00", + "1.2058675e+00", + "5.3642235e-01", + "1.0198350e-01", + "3.8005796e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000136", + "0.0000716", + "0.0003024", + "0.0011004", + "0.0035774", + "0.0106046", + "0.0288343", + "0.0712806", + "0.1546157", + "0.2728073", + "0.3365488", + "0.2226927", + "0.0459230", + "-0.0025968", + "0.0018598", + "-0.0012006", + "0.0007949", + "-0.0004755", + "0.0002809", + "-0.0001215", + "0.0000392", + "-0.0000130", + "0.0000027", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000238", + "-0.0001006", + "-0.0003664", + "-0.0011954", + "-0.0035655", + "-0.0098626", + "-0.0252242", + "-0.0589813", + "-0.1201602", + "-0.1947393", + "-0.1762272", + "0.1392250", + "0.5497729", + "0.4319307", + "0.0753250", + "-0.0064037", + "0.0030335", + "-0.0016985", + "0.0006374", + "-0.0001901", + "0.0000664", + "-0.0000133", + "0.0000055" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000476", + "0.0001731", + "0.0005658", + "0.0016871", + "0.0046858", + "0.0120261", + "0.0285113", + "0.0592846", + "0.1010102", + "0.0982134", + "-0.0954463", + "-0.5142862", + "-0.5297391", + "0.4377006", + "0.7979480", + "0.2097423", + "0.0020061", + "0.0030789", + "-0.0008588", + "0.0001764", + "-0.0000441", + "0.0000180" + ], + [ + "-0.0000001", + "-0.0000011", + "-0.0000055", + "-0.0000235", + "-0.0000854", + "-0.0002790", + "-0.0008324", + "-0.0023120", + "-0.0059459", + "-0.0141225", + "-0.0295663", + "-0.0508517", + "-0.0506698", + "0.0519744", + "0.2979421", + "0.3470482", + "-0.4066112", + "-1.0338794", + "0.0275944", + "0.9931078", + "0.4040444", + "0.0200568", + "-0.0005845", + "0.0002839", + "-0.0001100" + ], + [ + "0.0000001", + "0.0000004", + "0.0000023", + "0.0000097", + "0.0000354", + "0.0001153", + "0.0003454", + "0.0009554", + "0.0024701", + "0.0058354", + "0.0123254", + "0.0210308", + "0.0215027", + "-0.0228157", + "-0.1261660", + "-0.1580493", + "0.2058688", + "0.5137526", + "0.0014822", + "-0.8829854", + "-0.4690448", + "0.8936428", + "0.5838447", + "0.0161639", + "-0.0042487" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000025", + "-0.0000092", + "-0.0000301", + "-0.0000902", + "-0.0002494", + "-0.0006448", + "-0.0015238", + "-0.0032183", + "-0.0054957", + "-0.0056194", + "0.0059698", + "0.0331478", + "0.0416941", + "-0.0550351", + "-0.1388241", + "-0.0006447", + "0.2610919", + "0.1490382", + "-0.3680440", + "-0.3604630", + "0.6383968", + "0.5496542" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.8966276e+05", + "4.4908437e+04", + "1.4596501e+04", + "5.5944867e+03", + "2.3827152e+03", + "1.0936763e+03", + "5.3099688e+02", + "2.6882230e+02", + "1.4050746e+02", + "7.4779584e+01", + "4.0148233e+01", + "2.1868042e+01", + "1.1643318e+01", + "6.1099304e+00", + "3.1789810e+00", + "1.5212553e+00", + "7.0509040e-01", + "2.9494586e-01" + ], + "coefficients": [ + [ + "0.0000353", + "0.0003147", + "0.0018273", + "0.0081782", + "0.0297678", + "0.0882347", + "0.2037521", + "0.3354938", + "0.3320299", + "0.1530246", + "0.0210275", + "0.0008903", + "-0.0003171", + "0.0000811", + "-0.0000829", + "0.0000376", + "-0.0000121", + "0.0000037" + ], + [ + "-0.0000177", + "-0.0001578", + "-0.0009195", + "-0.0041471", + "-0.0153547", + "-0.0470420", + "-0.1147139", + "-0.2029095", + "-0.1919773", + "0.0946839", + "0.4962915", + "0.4346252", + "0.1127328", + "0.0054541", + "0.0010991", + "-0.0003197", + "0.0000725", + "-0.0000284" + ], + [ + "0.0000086", + "0.0000771", + "0.0004489", + "0.0020317", + "0.0075399", + "0.0233223", + "0.0575022", + "0.1040249", + "0.0960583", + "-0.0832012", + "-0.3974388", + "-0.3276550", + "0.3111350", + "0.6484597", + "0.2782935", + "0.0232434", + "0.0005345", + "0.0000803" + ], + [ + "-0.0000033", + "-0.0000297", + "-0.0001723", + "-0.0007834", + "-0.0028979", + "-0.0090171", + "-0.0221863", + "-0.0405813", + "-0.0367507", + "0.0346663", + "0.1720974", + "0.1310873", + "-0.1787285", + "-0.4278272", + "-0.1126608", + "0.5374677", + "0.5556554", + "0.1266078" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.1560740e+03", + "2.1682535e+03", + "8.4879533e+02", + "3.7905530e+02", + "1.8300523e+02", + "9.3024425e+01", + "4.8711957e+01", + "2.6029407e+01", + "1.3822561e+01", + "7.1734027e+00", + "3.6576740e+00", + "1.7426153e+00", + "8.0048494e-01", + "3.4594619e-01", + "1.3564542e-01" + ], + "coefficients": [ + [ + "0.0001788", + "0.0017755", + "0.0106186", + "0.0442724", + "0.1328480", + "0.2777626", + "0.3762277", + "0.2741901", + "0.0853993", + "0.0080827", + "0.0007002", + "-0.0000123", + "0.0000293", + "-0.0000188", + "0.0000027" + ], + [ + "-0.0000905", + "-0.0008976", + "-0.0054292", + "-0.0228493", + "-0.0703160", + "-0.1479642", + "-0.1889627", + "-0.0355182", + "0.3046426", + "0.4828200", + "0.2930423", + "0.0557216", + "0.0009697", + "0.0007269", + "-0.0001029" + ], + [ + "0.0000267", + "0.0002626", + "0.0016000", + "0.0067134", + "0.0208443", + "0.0436661", + "0.0557067", + "0.0018875", + "-0.1117405", + "-0.1761200", + "-0.0490849", + "0.2695822", + "0.4597654", + "0.3648137", + "0.1231579" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.2111224e+02", + "2.5441998e+02", + "1.1038265e+02", + "5.2959440e+01", + "2.6750260e+01", + "1.3868456e+01", + "7.1634533e+00", + "3.6371133e+00", + "1.7592790e+00", + "7.6020028e-01" + ], + "coefficients": [ + [ + "0.0004568", + "0.0044007", + "0.0234315", + "0.0786625", + "0.1846669", + "0.2957451", + "0.3367366", + "0.2662695", + "0.1282325", + "0.0268345" + ] + ] + } + ] + }, + "78": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.3882166e+08", + "2.0784189e+07", + "4.7330464e+06", + "1.3425081e+06", + "4.3907186e+05", + "1.5910395e+05", + "6.2356630e+04", + "2.6006811e+04", + "1.1402582e+04", + "5.2075613e+03", + "2.4609429e+03", + "1.1968237e+03", + "5.9294219e+02", + "2.8380375e+02", + "1.4915055e+02", + "7.7914543e+01", + "3.7811922e+01", + "2.0793238e+01", + "1.0532115e+01", + "5.5827317e+00", + "2.9058415e+00", + "1.2341121e+00", + "5.3499284e-01", + "9.1306087e-02", + "3.4090547e-02" + ], + "coefficients": [ + [ + "0.0000018", + "0.0000139", + "0.0000729", + "0.0003073", + "0.0011150", + "0.0036117", + "0.0106561", + "0.0288208", + "0.0709110", + "0.1533647", + "0.2706919", + "0.3359908", + "0.2253180", + "0.0474313", + "-0.0025577", + "0.0018545", + "-0.0011822", + "0.0007784", + "-0.0004688", + "0.0002847", + "-0.0001247", + "0.0000405", + "-0.0000124", + "0.0000025", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000046", + "-0.0000243", + "-0.0001023", + "-0.0003715", + "-0.0012077", + "-0.0035858", + "-0.0098650", + "-0.0251123", + "-0.0585107", + "-0.1191182", + "-0.1937101", + "-0.1782753", + "0.1325881", + "0.5489820", + "0.4382758", + "0.0761562", + "-0.0072042", + "0.0033616", + "-0.0019254", + "0.0007478", + "-0.0002261", + "0.0000720", + "-0.0000138", + "0.0000060" + ], + [ + "0.0000003", + "0.0000022", + "0.0000115", + "0.0000485", + "0.0001758", + "0.0005725", + "0.0016989", + "0.0046947", + "0.0119882", + "0.0283309", + "0.0588274", + "0.1006115", + "0.0993157", + "-0.0905695", + "-0.5132493", + "-0.5362652", + "0.4497148", + "0.8003830", + "0.1985226", + "-0.0014205", + "0.0035674", + "-0.0010364", + "0.0002089", + "-0.0000488", + "0.0000200" + ], + [ + "-0.0000001", + "-0.0000011", + "-0.0000057", + "-0.0000240", + "-0.0000870", + "-0.0002833", + "-0.0008413", + "-0.0023244", + "-0.0059489", + "-0.0140812", + "-0.0294466", + "-0.0508167", + "-0.0514371", + "0.0495688", + "0.2981396", + "0.3530693", + "-0.4241408", + "-1.0430528", + "0.0774829", + "1.0125371", + "0.3603929", + "0.0158114", + "0.0001259", + "0.0001627", + "-0.0000766" + ], + [ + "0.0000001", + "0.0000005", + "0.0000024", + "0.0000100", + "0.0000363", + "0.0001178", + "0.0003514", + "0.0009666", + "0.0024876", + "0.0058547", + "0.0123573", + "0.0211468", + "0.0219754", + "-0.0219593", + "-0.1270782", + "-0.1618463", + "0.2163429", + "0.5234505", + "-0.0265935", + "-0.9395746", + "-0.4004035", + "0.9348205", + "0.5443147", + "0.0133968", + "-0.0040697" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000024", + "-0.0000086", + "-0.0000279", + "-0.0000831", + "-0.0002286", + "-0.0005886", + "-0.0013846", + "-0.0029250", + "-0.0050029", + "-0.0052122", + "0.0052286", + "0.0301964", + "0.0387879", + "-0.0526550", + "-0.1277078", + "0.0055196", + "0.2545816", + "0.1115047", + "-0.3456206", + "-0.2996873", + "0.5968079", + "0.5619027" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.9380245e+05", + "4.5877768e+04", + "1.4893517e+04", + "5.7018070e+03", + "2.4278036e+03", + "1.1155361e+03", + "5.4268893e+02", + "2.7533645e+02", + "1.4416277e+02", + "7.6831684e+01", + "4.1278084e+01", + "2.2477288e+01", + "1.1947763e+01", + "6.2783667e+00", + "3.2717731e+00", + "1.5839842e+00", + "7.3140137e-01", + "3.0462850e-01" + ], + "coefficients": [ + [ + "0.0000356", + "0.0003178", + "0.0018500", + "0.0082909", + "0.0301327", + "0.0889305", + "0.2043145", + "0.3351846", + "0.3310854", + "0.1524847", + "0.0209370", + "0.0008569", + "-0.0003103", + "0.0000777", + "-0.0000804", + "0.0000378", + "-0.0000114", + "0.0000037" + ], + [ + "-0.0000179", + "-0.0001596", + "-0.0009327", + "-0.0042124", + "-0.0155769", + "-0.0475246", + "-0.1153363", + "-0.2032312", + "-0.1916320", + "0.0960272", + "0.4980223", + "0.4338512", + "0.1113112", + "0.0050225", + "0.0011328", + "-0.0003619", + "0.0000760", + "-0.0000334" + ], + [ + "0.0000088", + "0.0000784", + "0.0004574", + "0.0020729", + "0.0076835", + "0.0236706", + "0.0580866", + "0.1046968", + "0.0962779", + "-0.0846976", + "-0.4017840", + "-0.3266214", + "0.3196258", + "0.6515350", + "0.2693048", + "0.0216103", + "0.0008445", + "0.0001109" + ], + [ + "-0.0000034", + "-0.0000304", + "-0.0001770", + "-0.0008055", + "-0.0029767", + "-0.0092236", + "-0.0225922", + "-0.0411676", + "-0.0371345", + "0.0356570", + "0.1755566", + "0.1316491", + "-0.1859072", + "-0.4378921", + "-0.0994820", + "0.5470950", + "0.5449903", + "0.1281695" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.3338739e+03", + "2.2211294e+03", + "8.6889584e+02", + "3.8768310e+02", + "1.8695318e+02", + "9.4830855e+01", + "4.9498946e+01", + "2.6327122e+01", + "1.3892179e+01", + "7.1738880e+00", + "3.6469525e+00", + "1.7244770e+00", + "7.7843280e-01", + "3.2678640e-01", + "1.2390385e-01" + ], + "coefficients": [ + [ + "0.0001804", + "0.0017946", + "0.0107522", + "0.0449004", + "0.1349064", + "0.2820870", + "0.3795464", + "0.2700264", + "0.0799239", + "0.0068200", + "0.0006542", + "-0.0000456", + "0.0000265", + "-0.0000235", + "0.0000015" + ], + [ + "-0.0000920", + "-0.0009137", + "-0.0055375", + "-0.0233467", + "-0.0719561", + "-0.1513913", + "-0.1911482", + "-0.0253106", + "0.3247200", + "0.4872856", + "0.2722408", + "0.0455610", + "0.0009327", + "0.0008084", + "0.0000134" + ], + [ + "0.0000270", + "0.0002664", + "0.0016279", + "0.0068369", + "0.0212806", + "0.0445293", + "0.0561870", + "-0.0021072", + "-0.1184889", + "-0.1787158", + "-0.0270001", + "0.2994910", + "0.4527108", + "0.3481207", + "0.1256984" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.5431181e+02", + "2.6626388e+02", + "1.1556788e+02", + "5.5472972e+01", + "2.8027201e+01", + "1.4542027e+01", + "7.5254227e+00", + "3.8315509e+00", + "1.8542853e+00", + "7.9265903e-01" + ], + "coefficients": [ + [ + "0.0004497", + "0.0043485", + "0.0232785", + "0.0787424", + "0.1858887", + "0.2984145", + "0.3390346", + "0.2637073", + "0.1217182", + "0.0239139" + ] + ] + } + ] + }, + "79": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.4685466e+08", + "2.1981789e+07", + "5.0006023e+06", + "1.4157282e+06", + "4.6158119e+05", + "1.6652911e+05", + "6.4903968e+04", + "2.6891744e+04", + "1.1711669e+04", + "5.3169201e+03", + "2.5001252e+03", + "1.2108367e+03", + "5.9779537e+02", + "2.8344407e+02", + "1.4870434e+02", + "7.7756880e+01", + "3.7723439e+01", + "2.0526934e+01", + "1.0136532e+01", + "5.3984280e+00", + "2.7416268e+00", + "1.2611751e+00", + "5.4771407e-01", + "9.1060158e-02", + "3.3759818e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000134", + "0.0000704", + "0.0002975", + "0.0010853", + "0.0035409", + "0.0105402", + "0.0287801", + "0.0713883", + "0.1551658", + "0.2740887", + "0.3376856", + "0.2216240", + "0.0443129", + "-0.0028936", + "0.0018840", + "-0.0011719", + "0.0007494", + "-0.0004542", + "0.0002873", + "-0.0001335", + "0.0000490", + "-0.0000137", + "0.0000025", + "-0.0000011" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000234", + "-0.0000992", + "-0.0003618", + "-0.0011848", + "-0.0035481", + "-0.0098569", + "-0.0252924", + "-0.0592920", + "-0.1209863", + "-0.1963039", + "-0.1754615", + "0.1521473", + "0.5593977", + "0.4191381", + "0.0669481", + "-0.0062146", + "0.0028131", + "-0.0017162", + "0.0007145", + "-0.0002454", + "0.0000713", + "-0.0000128", + "0.0000056" + ], + [ + "0.0000003", + "0.0000021", + "0.0000111", + "0.0000470", + "0.0001715", + "0.0005625", + "0.0016833", + "0.0046980", + "0.0120903", + "0.0287589", + "0.0598575", + "0.1022801", + "0.0980919", + "-0.1050671", + "-0.5336367", + "-0.5114112", + "0.5135382", + "0.7792964", + "0.1677280", + "-0.0059868", + "0.0041372", + "-0.0013997", + "0.0002807", + "-0.0000574", + "0.0000249" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000055", + "-0.0000233", + "-0.0000852", + "-0.0002792", + "-0.0008368", + "-0.0023337", + "-0.0060232", + "-0.0143400", + "-0.0300911", + "-0.0518250", + "-0.0511395", + "0.0580964", + "0.3119885", + "0.3423253", + "-0.4986501", + "-1.0295654", + "0.2119978", + "1.0201851", + "0.2750596", + "0.0075430", + "0.0012937", + "-0.0000114", + "0.0000038" + ], + [ + "0.0000001", + "0.0000004", + "0.0000023", + "0.0000098", + "0.0000359", + "0.0001175", + "0.0003531", + "0.0009813", + "0.0025444", + "0.0060303", + "0.0127539", + "0.0218259", + "0.0220408", + "-0.0257658", + "-0.1349815", + "-0.1586859", + "0.2552375", + "0.5287219", + "-0.1168660", + "-1.0117192", + "-0.2728149", + "0.9671710", + "0.5082680", + "0.0116027", + "-0.0030481" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000005", + "-0.0000022", + "-0.0000082", + "-0.0000269", + "-0.0000807", + "-0.0002243", + "-0.0005817", + "-0.0013787", + "-0.0029168", + "-0.0049933", + "-0.0050474", + "0.0059132", + "0.0310461", + "0.0367146", + "-0.0599112", + "-0.1252151", + "0.0279302", + "0.2677264", + "0.0700232", + "-0.3453124", + "-0.2730941", + "0.5919839", + "0.5594440" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.0129618e+05", + "4.7648005e+04", + "1.5480622e+04", + "5.9302274e+03", + "2.5244946e+03", + "1.1580780e+03", + "5.6169562e+02", + "2.8391137e+02", + "1.4807962e+02", + "7.8624036e+01", + "4.2185510e+01", + "2.2942975e+01", + "1.2190742e+01", + "6.4202556e+00", + "3.3508047e+00", + "1.6424907e+00", + "7.6163729e-01", + "3.1883755e-01" + ], + "coefficients": [ + [ + "0.0000349", + "0.0003113", + "0.0018094", + "0.0081096", + "0.0295678", + "0.0878722", + "0.2037159", + "0.3366681", + "0.3331697", + "0.1519803", + "0.0201494", + "0.0009280", + "-0.0003802", + "0.0001191", + "-0.0001010", + "0.0000485", + "-0.0000148", + "0.0000046" + ], + [ + "-0.0000175", + "-0.0001567", + "-0.0009138", + "-0.0041272", + "-0.0153074", + "-0.0470216", + "-0.1151466", + "-0.2045224", + "-0.1930603", + "0.1000069", + "0.5033400", + "0.4295773", + "0.1074771", + "0.0046263", + "0.0010739", + "-0.0003695", + "0.0000691", + "-0.0000329" + ], + [ + "0.0000086", + "0.0000772", + "0.0004500", + "0.0020399", + "0.0075828", + "0.0235213", + "0.0582423", + "0.1058415", + "0.0974171", + "-0.0881838", + "-0.4092927", + "-0.3210977", + "0.3338953", + "0.6523791", + "0.2576765", + "0.0197165", + "0.0010979", + "0.0000793" + ], + [ + "-0.0000034", + "-0.0000304", + "-0.0001766", + "-0.0008035", + "-0.0029786", + "-0.0092907", + "-0.0229726", + "-0.0421843", + "-0.0381340", + "0.0377818", + "0.1814986", + "0.1308853", + "-0.1977393", + "-0.4502077", + "-0.0819586", + "0.5608498", + "0.5345228", + "0.1218036" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.1692993e+03", + "2.1723788e+03", + "8.5038578e+02", + "3.7960295e+02", + "1.8318477e+02", + "9.3003759e+01", + "4.8644587e+01", + "2.5915823e+01", + "1.3710608e+01", + "7.1201786e+00", + "3.6492093e+00", + "1.7554841e+00", + "8.0101437e-01", + "3.4084491e-01", + "1.3138273e-01" + ], + "coefficients": [ + [ + "0.0002019", + "0.0019997", + "0.0118965", + "0.0490713", + "0.1447434", + "0.2940122", + "0.3794970", + "0.2539263", + "0.0696950", + "0.0055054", + "0.0005564", + "-0.0000367", + "0.0000289", + "-0.0000125", + "0.0000035" + ], + [ + "-0.0001036", + "-0.0010264", + "-0.0061734", + "-0.0257459", + "-0.0778941", + "-0.1589309", + "-0.1892836", + "-0.0012208", + "0.3481330", + "0.4814095", + "0.2479805", + "0.0383397", + "0.0007195", + "0.0003015", + "-0.0000632" + ], + [ + "0.0000313", + "0.0003078", + "0.0018643", + "0.0077559", + "0.0236760", + "0.0480863", + "0.0568993", + "-0.0109217", + "-0.1308279", + "-0.1820604", + "-0.0063061", + "0.3207474", + "0.4501609", + "0.3300353", + "0.1123637" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.0123463e+02", + "2.8301754e+02", + "1.2301067e+02", + "5.9225314e+01", + "3.0022646e+01", + "1.5638253e+01", + "8.1276727e+00", + "4.1602599e+00", + "2.0251723e+00", + "8.6936188e-01" + ], + "coefficients": [ + [ + "0.0004245", + "0.0041300", + "0.0222591", + "0.0759724", + "0.1814611", + "0.2960278", + "0.3408570", + "0.2667093", + "0.1221172", + "0.0234989" + ] + ] + } + ] + }, + "80": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.4958774e+08", + "2.2393003e+07", + "5.0946493e+06", + "1.4427714e+06", + "4.7075245e+05", + "1.7004533e+05", + "6.6369232e+04", + "2.7541497e+04", + "1.2016091e+04", + "5.4667751e+03", + "2.5768823e+03", + "1.2512086e+03", + "6.1935949e+02", + "2.9572342e+02", + "1.5550957e+02", + "8.1428323e+01", + "3.9720412e+01", + "2.1807445e+01", + "1.1020328e+01", + "5.8899305e+00", + "3.0615341e+00", + "1.3844972e+00", + "6.1592243e-01", + "1.1612293e-01", + "4.2127899e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000135", + "0.0000709", + "0.0002998", + "0.0010918", + "0.0035550", + "0.0105604", + "0.0287716", + "0.0711823", + "0.1543344", + "0.2723050", + "0.3365800", + "0.2234950", + "0.0461224", + "-0.0026914", + "0.0018786", + "-0.0011971", + "0.0007884", + "-0.0004846", + "0.0003038", + "-0.0001402", + "0.0000498", + "-0.0000149", + "0.0000028", + "-0.0000012" + ], + [ + "-0.0000006", + "-0.0000045", + "-0.0000236", + "-0.0001000", + "-0.0003643", + "-0.0011903", + "-0.0035576", + "-0.0098600", + "-0.0252385", + "-0.0589881", + "-0.1201558", + "-0.1950367", + "-0.1771282", + "0.1403821", + "0.5524793", + "0.4308304", + "0.0731227", + "-0.0066905", + "0.0031522", + "-0.0018754", + "0.0007688", + "-0.0002546", + "0.0000789", + "-0.0000147", + "0.0000059" + ], + [ + "0.0000003", + "0.0000021", + "0.0000112", + "0.0000475", + "0.0001729", + "0.0005658", + "0.0016904", + "0.0047055", + "0.0120837", + "0.0286470", + "0.0595380", + "0.1016863", + "0.0991507", + "-0.0968209", + "-0.5223687", + "-0.5292916", + "0.4701196", + "0.7941424", + "0.1913094", + "-0.0029066", + "0.0038450", + "-0.0012500", + "0.0002499", + "-0.0000549", + "0.0000219" + ], + [ + "-0.0000001", + "-0.0000011", + "-0.0000056", + "-0.0000237", + "-0.0000862", + "-0.0002820", + "-0.0008432", + "-0.0023464", + "-0.0060402", + "-0.0143407", + "-0.0300272", + "-0.0517401", + "-0.0517950", + "0.0535395", + "0.3064576", + "0.3533472", + "-0.4526694", + "-1.0481077", + "0.1091788", + "1.0281617", + "0.3347336", + "0.0138319", + "0.0008054", + "0.0000858", + "-0.0000295" + ], + [ + "0.0000001", + "0.0000005", + "0.0000024", + "0.0000101", + "0.0000369", + "0.0001205", + "0.0003615", + "0.0010024", + "0.0025926", + "0.0061266", + "0.0129326", + "0.0221356", + "0.0226895", + "-0.0242092", + "-0.1346302", + "-0.1664049", + "0.2366742", + "0.5458137", + "-0.0490825", + "-1.0094027", + "-0.3766775", + "0.9501883", + "0.5565516", + "0.0140455", + "-0.0036146" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000026", + "-0.0000094", + "-0.0000308", + "-0.0000923", + "-0.0002561", + "-0.0006621", + "-0.0015660", + "-0.0033030", + "-0.0056644", + "-0.0057946", + "0.0061782", + "0.0346883", + "0.0429049", + "-0.0618420", + "-0.1453860", + "0.0138704", + "0.2970763", + "0.1164403", + "-0.3910734", + "-0.3289178", + "0.6267070", + "0.5554261" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.1821697e+05", + "5.1650545e+04", + "1.6773916e+04", + "6.4213802e+03", + "2.7307593e+03", + "1.2510000e+03", + "6.0596182e+02", + "3.0597796e+02", + "1.5955795e+02", + "8.4827931e+01", + "4.5415895e+01", + "2.4720982e+01", + "1.3181352e+01", + "6.9533623e+00", + "3.6479272e+00", + "1.7846103e+00", + "8.3332370e-01", + "3.5113009e-01" + ], + "coefficients": [ + [ + "0.0000317", + "0.0002830", + "0.0016484", + "0.0074190", + "0.0272467", + "0.0819357", + "0.1934325", + "0.3287551", + "0.3403104", + "0.1668995", + "0.0252590", + "0.0008673", + "-0.0002410", + "0.0000422", + "-0.0000664", + "0.0000337", + "-0.0000089", + "0.0000032" + ], + [ + "-0.0000160", + "-0.0001427", + "-0.0008339", + "-0.0037797", + "-0.0141119", + "-0.0437949", + "-0.1090701", + "-0.1990854", + "-0.2022353", + "0.0685936", + "0.4849134", + "0.4525414", + "0.1245284", + "0.0062681", + "0.0011663", + "-0.0004004", + "0.0000743", + "-0.0000341" + ], + [ + "0.0000079", + "0.0000706", + "0.0004124", + "0.0018758", + "0.0070188", + "0.0219857", + "0.0553575", + "0.1033239", + "0.1034492", + "-0.0676427", + "-0.3934225", + "-0.3546937", + "0.2870902", + "0.6619065", + "0.2873503", + "0.0248020", + "0.0009389", + "0.0000939" + ], + [ + "-0.0000032", + "-0.0000284", + "-0.0001650", + "-0.0007539", + "-0.0028118", + "-0.0088599", + "-0.0222655", + "-0.0420142", + "-0.0414021", + "0.0297342", + "0.1781214", + "0.1503797", + "-0.1762250", + "-0.4642541", + "-0.1210859", + "0.5581598", + "0.5526046", + "0.1220789" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.6644174e+03", + "2.3224590e+03", + "9.0933850e+02", + "4.0626665e+02", + "1.9637313e+02", + "9.9985307e+01", + "5.2488409e+01", + "2.8119902e+01", + "1.4997504e+01", + "7.8520808e+00", + "4.0690279e+00", + "1.9947695e+00", + "9.3288740e-01", + "4.1012623e-01", + "1.6359022e-01" + ], + "coefficients": [ + [ + "0.0001852", + "0.0018393", + "0.0109921", + "0.0457049", + "0.1363927", + "0.2825118", + "0.3767713", + "0.2674224", + "0.0808113", + "0.0073748", + "0.0006136", + "-0.0000282", + "0.0000300", + "-0.0000135", + "0.0000037" + ], + [ + "-0.0000957", + "-0.0009502", + "-0.0057410", + "-0.0241225", + "-0.0738253", + "-0.1539534", + "-0.1921574", + "-0.0252260", + "0.3203962", + "0.4843690", + "0.2734925", + "0.0485318", + "0.0011428", + "0.0003755", + "-0.0000818" + ], + [ + "0.0000306", + "0.0003017", + "0.0018355", + "0.0076940", + "0.0237576", + "0.0493463", + "0.0613497", + "-0.0027543", + "-0.1292247", + "-0.1955485", + "-0.0326923", + "0.3090595", + "0.4618062", + "0.3338277", + "0.1030772" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.5501014e+02", + "3.0225011e+02", + "1.3150618e+02", + "6.3461858e+01", + "3.2261089e+01", + "1.6875809e+01", + "8.8193196e+00", + "4.5464823e+00", + "2.2350019e+00", + "9.7613371e-01" + ], + "coefficients": [ + [ + "0.0003949", + "0.0038695", + "0.0210526", + "0.0727532", + "0.1760842", + "0.2921896", + "0.3416663", + "0.2708159", + "0.1247721", + "0.0237908" + ] + ] + } + ] + }, + "81": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.5639848e+08", + "2.3414843e+07", + "5.3272223e+06", + "1.5084232e+06", + "4.9206059e+05", + "1.7770983e+05", + "6.9369734e+04", + "2.8804091e+04", + "1.2578520e+04", + "5.7283144e+03", + "2.7025721e+03", + "1.3130688e+03", + "6.5030391e+02", + "3.1229662e+02", + "1.6441308e+02", + "8.6060543e+01", + "4.2201218e+01", + "2.3426384e+01", + "1.2137250e+01", + "6.4599103e+00", + "3.4074932e+00", + "1.5111582e+00", + "6.8706697e-01", + "1.4515005e-01", + "5.4641389e-02" + ], + "coefficients": [ + [ + "0.0000017", + "0.0000131", + "0.0000692", + "0.0002926", + "0.0010660", + "0.0034717", + "0.0103091", + "0.0280709", + "0.0694615", + "0.1509650", + "0.2681243", + "0.3364262", + "0.2297615", + "0.0500981", + "-0.0024956", + "0.0019535", + "-0.0012828", + "0.0008732", + "-0.0005361", + "0.0003263", + "-0.0001497", + "0.0000524", + "-0.0000168", + "0.0000035", + "-0.0000014" + ], + [ + "-0.0000006", + "-0.0000044", + "-0.0000231", + "-0.0000976", + "-0.0003559", + "-0.0011629", + "-0.0034747", + "-0.0096197", + "-0.0246163", + "-0.0575643", + "-0.1177183", + "-0.1928497", + "-0.1817497", + "0.1202368", + "0.5424229", + "0.4490798", + "0.0826956", + "-0.0073299", + "0.0035817", + "-0.0020296", + "0.0008172", + "-0.0002649", + "0.0000886", + "-0.0000179", + "0.0000070" + ], + [ + "0.0000003", + "0.0000021", + "0.0000110", + "0.0000464", + "0.0001691", + "0.0005536", + "0.0016534", + "0.0045963", + "0.0118019", + "0.0279775", + "0.0583736", + "0.1004664", + "0.1016848", + "-0.0825522", + "-0.5050619", + "-0.5544779", + "0.4075120", + "0.8116023", + "0.2256305", + "0.0025376", + "0.0032440", + "-0.0010411", + "0.0002008", + "-0.0000498", + "0.0000196" + ], + [ + "-0.0000001", + "-0.0000010", + "-0.0000055", + "-0.0000232", + "-0.0000846", + "-0.0002769", + "-0.0008275", + "-0.0023007", + "-0.0059184", + "-0.0140593", + "-0.0295256", + "-0.0513186", + "-0.0531777", + "0.0455663", + "0.2969329", + "0.3682108", + "-0.3870929", + "-1.0636422", + "-0.0168845", + "1.0262991", + "0.4068716", + "0.0213493", + "0.0001205", + "0.0002060", + "-0.0000785" + ], + [ + "0.0000001", + "0.0000005", + "0.0000024", + "0.0000101", + "0.0000368", + "0.0001201", + "0.0003602", + "0.0009976", + "0.0025789", + "0.0060967", + "0.0129096", + "0.0222846", + "0.0236419", + "-0.0210362", + "-0.1322928", + "-0.1757939", + "0.2070226", + "0.5604689", + "0.0325919", + "-0.9905017", + "-0.4929675", + "0.9284360", + "0.6032685", + "0.0171171", + "-0.0039851" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000029", + "-0.0000106", + "-0.0000344", + "-0.0001033", + "-0.0002862", + "-0.0007394", + "-0.0017493", + "-0.0037023", + "-0.0064005", + "-0.0067833", + "0.0060338", + "0.0382550", + "0.0509673", + "-0.0608827", + "-0.1676176", + "-0.0100683", + "0.3283361", + "0.1733747", + "-0.4347417", + "-0.4077847", + "0.6900251", + "0.5301475" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.0156666e+05", + "7.1374904e+04", + "2.3175024e+04", + "8.8655123e+03", + "3.7662013e+03", + "1.7226786e+03", + "8.3303192e+02", + "4.2017691e+02", + "2.1902624e+02", + "1.1669787e+02", + "6.2442962e+01", + "3.4312688e+01", + "1.8763775e+01", + "9.9309984e+00", + "5.2836801e+00", + "2.6431364e+00", + "1.3288539e+00", + "6.2548254e-01", + "2.2659670e-01", + "8.9078986e-02", + "3.3725683e-02" + ], + "coefficients": [ + [ + "0.0000188", + "0.0001684", + "0.0009861", + "0.0044981", + "0.0169478", + "0.0534449", + "0.1373023", + "0.2689509", + "0.3552872", + "0.2576483", + "0.0743240", + "0.0037492", + "0.0007526", + "-0.0004858", + "0.0001787", + "-0.0000998", + "0.0000550", + "-0.0000187", + "0.0000071", + "-0.0000032", + "0.0000010" + ], + [ + "-0.0000095", + "-0.0000850", + "-0.0004991", + "-0.0022883", + "-0.0087315", + "-0.0281987", + "-0.0757021", + "-0.1579869", + "-0.2215223", + "-0.0945425", + "0.2998279", + "0.5361203", + "0.2769346", + "0.0392532", + "0.0011026", + "0.0001468", + "-0.0001230", + "-0.0000059", + "-0.0000057", + "0.0000023", + "-0.0000006" + ], + [ + "0.0000047", + "0.0000422", + "0.0002481", + "0.0011384", + "0.0043586", + "0.0141512", + "0.0384103", + "0.0814455", + "0.1162357", + "0.0376090", + "-0.2358052", + "-0.4591412", + "-0.0699924", + "0.5681063", + "0.5321118", + "0.1074723", + "0.0006871", + "0.0015874", + "-0.0003619", + "0.0001501", + "-0.0000487" + ], + [ + "-0.0000019", + "-0.0000173", + "-0.0001014", + "-0.0004662", + "-0.0017825", + "-0.0058059", + "-0.0157635", + "-0.0336368", + "-0.0479934", + "-0.0147133", + "0.1072502", + "0.2104793", + "0.0100325", + "-0.3679353", + "-0.4002309", + "0.2493441", + "0.6475106", + "0.3383538", + "0.0286587", + "-0.0022151", + "0.0008163" + ], + [ + "0.0000004", + "0.0000037", + "0.0000217", + "0.0000998", + "0.0003813", + "0.0012435", + "0.0033733", + "0.0072126", + "0.0102723", + "0.0031553", + "-0.0233528", + "-0.0456157", + "-0.0017589", + "0.0845026", + "0.0925427", + "-0.0748137", + "-0.1902486", + "-0.1114552", + "0.2270133", + "0.5788448", + "0.3558343" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.2938557e+03", + "2.5133015e+03", + "9.8436171e+02", + "4.4003199e+02", + "2.1282486e+02", + "1.0847525e+02", + "5.7022489e+01", + "3.0637126e+01", + "1.6418163e+01", + "8.6377795e+00", + "4.5100236e+00", + "2.2425847e+00", + "1.0687356e+00", + "4.8226981e-01", + "1.9725143e-01" + ], + "coefficients": [ + [ + "0.0001653", + "0.0016462", + "0.0098941", + "0.0416336", + "0.1265170", + "0.2694400", + "0.3738705", + "0.2827779", + "0.0937596", + "0.0097534", + "0.0006817", + "-0.0000157", + "0.0000298", + "-0.0000141", + "0.0000040" + ], + [ + "-0.0000860", + "-0.0008558", + "-0.0051996", + "-0.0220950", + "-0.0688360", + "-0.1479738", + "-0.1948315", + "-0.0501148", + "0.2918583", + "0.4860949", + "0.2984946", + "0.0594332", + "0.0017577", + "0.0004299", + "-0.0001011" + ], + [ + "0.0000289", + "0.0002858", + "0.0017489", + "0.0074129", + "0.0233030", + "0.0499215", + "0.0656405", + "0.0067426", + "-0.1257960", + "-0.2078991", + "-0.0588722", + "0.2971319", + "0.4740111", + "0.3386322", + "0.0937275" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.0969923e+02", + "3.2169459e+02", + "1.3999481e+02", + "6.7636914e+01", + "3.4443175e+01", + "1.8076359e+01", + "9.4928175e+00", + "4.9259997e+00", + "2.4438524e+00", + "1.0853779e+00" + ], + "coefficients": [ + [ + "0.0003694", + "0.0036484", + "0.0200556", + "0.0702039", + "0.1719452", + "0.2892228", + "0.3422114", + "0.2737752", + "0.1265262", + "0.0238567" + ] + ] + } + ] + }, + "82": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.7999785e+08", + "2.6946463e+07", + "6.1315715e+06", + "1.7362661e+06", + "5.6625753e+05", + "2.0434715e+05", + "7.9631698e+04", + "3.2973171e+04", + "1.4346374e+04", + "6.5057337e+03", + "3.0555771e+03", + "1.4781690e+03", + "7.3016375e+02", + "3.5689553e+02", + "1.8656846e+02", + "9.7026019e+01", + "4.8220029e+01", + "2.7334131e+01", + "1.4663931e+01", + "7.4856701e+00", + "3.9698355e+00", + "1.6574135e+00", + "7.6917024e-01", + "1.7357240e-01", + "6.7000758e-02" + ], + "coefficients": [ + [ + "0.0000015", + "0.0000114", + "0.0000599", + "0.0002531", + "0.0009230", + "0.0030134", + "0.0089919", + "0.0246915", + "0.0618975", + "0.1373906", + "0.2525389", + "0.3362871", + "0.2536059", + "0.0668011", + "-0.0008161", + "0.0019503", + "-0.0013565", + "0.0009409", + "-0.0005413", + "0.0002960", + "-0.0001344", + "0.0000459", + "-0.0000166", + "0.0000037", + "-0.0000014" + ], + [ + "-0.0000005", + "-0.0000038", + "-0.0000200", + "-0.0000845", + "-0.0003083", + "-0.0010093", + "-0.0030300", + "-0.0084396", + "-0.0218253", + "-0.0517249", + "-0.1083432", + "-0.1844527", + "-0.1963327", + "0.0531878", + "0.5030316", + "0.5057911", + "0.1181962", + "-0.0077356", + "0.0043509", + "-0.0021258", + "0.0008221", + "-0.0002581", + "0.0000977", + "-0.0000212", + "0.0000082" + ], + [ + "0.0000002", + "0.0000018", + "0.0000095", + "0.0000402", + "0.0001468", + "0.0004809", + "0.0014439", + "0.0040348", + "0.0104725", + "0.0251111", + "0.0536202", + "0.0954079", + "0.1089267", + "-0.0361123", + "-0.4431823", + "-0.6184336", + "0.2051531", + "0.8454305", + "0.3391726", + "0.0221665", + "0.0009962", + "-0.0003741", + "0.0000017", + "-0.0000114", + "0.0000051" + ], + [ + "-0.0000001", + "-0.0000009", + "-0.0000048", + "-0.0000202", + "-0.0000736", + "-0.0002415", + "-0.0007248", + "-0.0020278", + "-0.0052649", + "-0.0126693", + "-0.0271579", + "-0.0489067", + "-0.0567487", + "0.0194354", + "0.2595086", + "0.4009394", + "-0.1842311", + "-1.0582978", + "-0.3175165", + "0.9721242", + "0.5650136", + "0.0374362", + "-0.0020443", + "0.0005767", + "-0.0002232" + ], + [ + "0.0000001", + "0.0000004", + "0.0000021", + "0.0000089", + "0.0000325", + "0.0001063", + "0.0003202", + "0.0008921", + "0.0023285", + "0.0055736", + "0.0120503", + "0.0215395", + "0.0255686", + "-0.0095447", + "-0.1168064", + "-0.1929666", + "0.1051523", + "0.5584059", + "0.2156956", + "-0.8865763", + "-0.7087112", + "0.8808683", + "0.6651343", + "0.0212713", + "-0.0046411" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000101", + "-0.0000329", + "-0.0000991", + "-0.0002760", + "-0.0007206", + "-0.0017248", + "-0.0037306", + "-0.0066696", + "-0.0079280", + "0.0029720", + "0.0363681", + "0.0605044", + "-0.0336622", + "-0.1792925", + "-0.0723350", + "0.3160714", + "0.2699585", + "-0.4503317", + "-0.4858825", + "0.7245681", + "0.5263534" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.1476772e+05", + "7.4496164e+04", + "2.4210225e+04", + "9.2785709e+03", + "3.9516829e+03", + "1.8126077e+03", + "8.7869986e+02", + "4.4400069e+02", + "2.3162951e+02", + "1.2345119e+02", + "6.6106285e+01", + "3.6335925e+01", + "1.9897619e+01", + "1.0554429e+01", + "5.6397023e+00", + "2.8520991e+00", + "1.4470441e+00", + "6.9171392e-01", + "2.5453110e-01", + "1.0702279e-01", + "4.2885726e-02" + ], + "coefficients": [ + [ + "0.0000183", + "0.0001633", + "0.0009538", + "0.0043351", + "0.0162757", + "0.0512565", + "0.1321884", + "0.2619722", + "0.3540538", + "0.2661982", + "0.0811170", + "0.0046000", + "0.0008439", + "-0.0005371", + "0.0002093", + "-0.0001194", + "0.0000663", + "-0.0000234", + "0.0000093", + "-0.0000045", + "0.0000013" + ], + [ + "-0.0000092", + "-0.0000825", + "-0.0004836", + "-0.0022088", + "-0.0083958", + "-0.0270622", + "-0.0728642", + "-0.1537014", + "-0.2211261", + "-0.1076370", + "0.2790231", + "0.5378391", + "0.2936514", + "0.0446670", + "0.0011284", + "0.0002367", + "-0.0001696", + "0.0000073", + "-0.0000109", + "0.0000051", + "-0.0000013" + ], + [ + "0.0000046", + "0.0000412", + "0.0002414", + "0.0011033", + "0.0042087", + "0.0136334", + "0.0371156", + "0.0795027", + "0.1165764", + "0.0459478", + "-0.2210418", + "-0.4622491", + "-0.1014681", + "0.5507764", + "0.5502703", + "0.1193657", + "0.0015257", + "0.0016525", + "-0.0004018", + "0.0001745", + "-0.0000560" + ], + [ + "-0.0000019", + "-0.0000172", + "-0.0001006", + "-0.0004605", + "-0.0017551", + "-0.0057016", + "-0.0155329", + "-0.0334646", + "-0.0491163", + "-0.0185718", + "0.1025267", + "0.2167710", + "0.0265058", + "-0.3641396", + "-0.4264321", + "0.2247367", + "0.6581361", + "0.3506090", + "0.0297048", + "-0.0026429", + "0.0009185" + ], + [ + "0.0000005", + "0.0000043", + "0.0000250", + "0.0001146", + "0.0004357", + "0.0014190", + "0.0038571", + "0.0083402", + "0.0121908", + "0.0046683", + "-0.0260529", + "-0.0544489", + "-0.0065574", + "0.0982333", + "0.1144111", + "-0.0792630", + "-0.2328574", + "-0.1330962", + "0.2871875", + "0.5880597", + "0.2920791" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.9984513e+03", + "2.7270980e+03", + "1.0684899e+03", + "4.7805931e+02", + "2.3152778e+02", + "1.1821154e+02", + "6.2252284e+01", + "3.3531516e+01", + "1.8035649e+01", + "9.5222483e+00", + "4.9984426e+00", + "2.5113068e+00", + "1.2135379e+00", + "5.5748484e-01", + "2.3082047e-01" + ], + "coefficients": [ + [ + "0.0001465", + "0.0014632", + "0.0088423", + "0.0376152", + "0.1162752", + "0.2548025", + "0.3688487", + "0.2988244", + "0.1091009", + "0.0129686", + "0.0007714", + "0.0000072", + "0.0000260", + "-0.0000132", + "0.0000039" + ], + [ + "-0.0000767", + "-0.0007653", + "-0.0046744", + "-0.0200703", + "-0.0635642", + "-0.1409643", + "-0.1960292", + "-0.0755356", + "0.2599232", + "0.4853015", + "0.3252678", + "0.0721397", + "0.0025968", + "0.0004796", + "-0.0001232" + ], + [ + "0.0000269", + "0.0002669", + "0.0016419", + "0.0070309", + "0.0224688", + "0.0496866", + "0.0691526", + "0.0174105", + "-0.1192842", + "-0.2180703", + "-0.0869215", + "0.2820178", + "0.4862169", + "0.3454982", + "0.0887821" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.5873927e+02", + "3.3921799e+02", + "1.4773154e+02", + "7.1474846e+01", + "3.6455949e+01", + "1.9176321e+01", + "1.0105301e+01", + "5.2721348e+00", + "2.6376206e+00", + "1.1898662e+00" + ], + "coefficients": [ + [ + "0.0003533", + "0.0035073", + "0.0193988", + "0.0685226", + "0.1693747", + "0.2878602", + "0.3430677", + "0.2749019", + "0.1263573", + "0.0233275" + ] + ] + } + ] + }, + "83": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.9957069e+08", + "2.9883786e+07", + "6.8031101e+06", + "1.9274453e+06", + "6.2874361e+05", + "2.2685634e+05", + "8.8389205e+04", + "3.6602051e+04", + "1.5929587e+04", + "7.2260127e+03", + "3.3943557e+03", + "1.6420876e+03", + "8.1247890e+02", + "4.0415820e+02", + "2.0818787e+02", + "1.0791849e+02", + "5.4803220e+01", + "3.0975168e+01", + "1.6680871e+01", + "8.2249009e+00", + "4.3599913e+00", + "1.7828038e+00", + "8.4547313e-01", + "2.0210992e-01", + "7.9501267e-02" + ], + "coefficients": [ + [ + "0.0000013", + "0.0000103", + "0.0000542", + "0.0002289", + "0.0008350", + "0.0027285", + "0.0081493", + "0.0224243", + "0.0564718", + "0.1267207", + "0.2382321", + "0.3318107", + "0.2713994", + "0.0845523", + "0.0022805", + "0.0015726", + "-0.0011212", + "0.0007401", + "-0.0004146", + "0.0002202", + "-0.0001027", + "0.0000363", + "-0.0000142", + "0.0000033", + "-0.0000013" + ], + [ + "-0.0000004", + "-0.0000034", + "-0.0000181", + "-0.0000764", + "-0.0002791", + "-0.0009139", + "-0.0027464", + "-0.0076524", + "-0.0198486", + "-0.0472768", + "-0.1004481", + "-0.1756364", + "-0.2038291", + "0.0016571", + "0.4593599", + "0.5432943", + "0.1545953", + "-0.0033268", + "0.0039164", + "-0.0018271", + "0.0007020", + "-0.0002263", + "0.0000936", + "-0.0000212", + "0.0000080" + ], + [ + "0.0000002", + "0.0000016", + "0.0000086", + "0.0000364", + "0.0001331", + "0.0004359", + "0.0013108", + "0.0036610", + "0.0095343", + "0.0229383", + "0.0496614", + "0.0903433", + "0.1122699", + "-0.0025403", + "-0.3872094", + "-0.6494594", + "0.0383909", + "0.8473989", + "0.4385127", + "0.0397572", + "-0.0010703", + "0.0001838", + "-0.0001993", + "0.0000331", + "-0.0000112" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000043", + "-0.0000184", + "-0.0000670", + "-0.0002197", + "-0.0006599", + "-0.0018472", + "-0.0048063", + "-0.0116177", + "-0.0251999", + "-0.0464643", + "-0.0583926", + "0.0007894", + "0.2262019", + "0.4141075", + "-0.0331558", + "-1.0161696", + "-0.5181308", + "0.9091137", + "0.6585282", + "0.0486846", + "-0.0037653", + "0.0008696", + "-0.0003358" + ], + [ + "0.0000000", + "0.0000004", + "0.0000019", + "0.0000082", + "0.0000300", + "0.0000981", + "0.0002957", + "0.0008243", + "0.0021560", + "0.0051840", + "0.0113389", + "0.0207558", + "0.0266370", + "-0.0010776", + "-0.1030416", + "-0.2008687", + "0.0273462", + "0.5408406", + "0.3328910", + "-0.8130930", + "-0.8341502", + "0.8488085", + "0.7057330", + "0.0246728", + "-0.0050153" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000098", + "-0.0000321", + "-0.0000968", + "-0.0002699", + "-0.0007060", + "-0.0016973", + "-0.0037146", + "-0.0067996", + "-0.0087407", + "0.0003664", + "0.0339308", + "0.0666443", + "-0.0095071", + "-0.1836084", + "-0.1171571", + "0.3061646", + "0.3387982", + "-0.4670028", + "-0.5481257", + "0.7501909", + "0.5285342" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.3952135e+05", + "8.0356159e+04", + "2.6099390e+04", + "9.9864365e+03", + "4.2425284e+03", + "1.9404328e+03", + "9.3825217e+02", + "4.7321226e+02", + "2.4652862e+02", + "1.3130946e+02", + "7.0391719e+01", + "3.8688741e+01", + "2.1214435e+01", + "1.1279877e+01", + "6.0524096e+00", + "3.0951679e+00", + "1.5849914e+00", + "7.6929053e-01", + "2.9261681e-01", + "1.2737105e-01", + "5.2531027e-02" + ], + "coefficients": [ + [ + "0.0000167", + "0.0001494", + "0.0008753", + "0.0040008", + "0.0151492", + "0.0482149", + "0.1259784", + "0.2540922", + "0.3527743", + "0.2761809", + "0.0896157", + "0.0059053", + "0.0009148", + "-0.0005740", + "0.0002329", + "-0.0001372", + "0.0000772", + "-0.0000283", + "0.0000115", + "-0.0000056", + "0.0000016" + ], + [ + "-0.0000085", + "-0.0000757", + "-0.0004444", + "-0.0020411", + "-0.0078205", + "-0.0254553", + "-0.0693552", + "-0.1487608", + "-0.2204970", + "-0.1225082", + "0.2535475", + "0.5380988", + "0.3139890", + "0.0519121", + "0.0012120", + "0.0003652", + "-0.0002333", + "0.0000272", + "-0.0000192", + "0.0000091", + "-0.0000025" + ], + [ + "0.0000042", + "0.0000379", + "0.0002228", + "0.0010235", + "0.0039362", + "0.0128704", + "0.0354568", + "0.0771817", + "0.1167571", + "0.0554506", + "-0.2027110", + "-0.4635208", + "-0.1388976", + "0.5267417", + "0.5716470", + "0.1350627", + "0.0027643", + "0.0017417", + "-0.0004370", + "0.0001935", + "-0.0000578" + ], + [ + "-0.0000018", + "-0.0000161", + "-0.0000946", + "-0.0004351", + "-0.0016728", + "-0.0054819", + "-0.0151214", + "-0.0330815", + "-0.0501649", + "-0.0230648", + "0.0957881", + "0.2222163", + "0.0467738", + "-0.3548543", + "-0.4554036", + "0.1900936", + "0.6676148", + "0.3689322", + "0.0325751", + "-0.0030255", + "0.0008319" + ], + [ + "0.0000005", + "0.0000044", + "0.0000259", + "0.0001194", + "0.0004578", + "0.0015046", + "0.0041404", + "0.0090931", + "0.0137314", + "0.0063890", + "-0.0268973", + "-0.0616288", + "-0.0129788", + "0.1061571", + "0.1357667", + "-0.0768289", + "-0.2659248", + "-0.1587921", + "0.3200728", + "0.5946662", + "0.2620385" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.4197123e+03", + "2.8539151e+03", + "1.1171013e+03", + "4.9922110e+02", + "2.4159671e+02", + "1.2338172e+02", + "6.5067864e+01", + "3.5137879e+01", + "1.8977269e+01", + "1.0067300e+01", + "5.3188441e+00", + "2.7009697e+00", + "1.3219985e+00", + "6.1766779e-01", + "2.5863149e-01" + ], + "coefficients": [ + [ + "0.0001404", + "0.0014064", + "0.0085430", + "0.0365923", + "0.1138538", + "0.2511559", + "0.3667431", + "0.3020452", + "0.1136702", + "0.0142637", + "0.0007788", + "0.0000264", + "0.0000179", + "-0.0000101", + "0.0000032" + ], + [ + "-0.0000739", + "-0.0007402", + "-0.0045437", + "-0.0196454", + "-0.0626104", + "-0.1399040", + "-0.1967347", + "-0.0821058", + "0.2499388", + "0.4834749", + "0.3325643", + "0.0769177", + "0.0030914", + "0.0004482", + "-0.0001286" + ], + [ + "0.0000270", + "0.0002681", + "0.0016572", + "0.0071480", + "0.0229837", + "0.0512352", + "0.0721073", + "0.0207208", + "-0.1204447", + "-0.2270194", + "-0.0976206", + "0.2822909", + "0.4956743", + "0.3401538", + "0.0804102" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.0257798e+03", + "3.6325888e+02", + "1.5840643e+02", + "7.6810012e+01", + "3.9265633e+01", + "2.0712317e+01", + "1.0951367e+01", + "5.7378919e+00", + "2.8888902e+00", + "1.3189624e+00" + ], + "coefficients": [ + [ + "0.0003242", + "0.0032409", + "0.0180846", + "0.0648158", + "0.1628996", + "0.2830163", + "0.3440460", + "0.2807167", + "0.1306470", + "0.0241049" + ] + ] + } + ] + }, + "84": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.1721408e+08", + "3.2514715e+07", + "7.4001772e+06", + "2.0962695e+06", + "6.8382339e+05", + "2.4673143e+05", + "9.6113741e+04", + "3.9786998e+04", + "1.7309849e+04", + "7.8506391e+03", + "3.6880340e+03", + "1.7854340e+03", + "8.8582878e+02", + "4.4587115e+02", + "2.2668053e+02", + "1.1762426e+02", + "6.0867457e+01", + "3.3864270e+01", + "1.8187211e+01", + "8.8000422e+00", + "4.6744095e+00", + "1.9009400e+00", + "9.2001137e-01", + "2.3149017e-01", + "9.1847216e-02" + ], + "coefficients": [ + [ + "0.0000012", + "0.0000096", + "0.0000503", + "0.0002124", + "0.0007747", + "0.0025329", + "0.0075736", + "0.0208862", + "0.0527996", + "0.1193861", + "0.2277544", + "0.3265939", + "0.2824749", + "0.0995493", + "0.0056123", + "0.0010666", + "-0.0007776", + "0.0004795", + "-0.0002773", + "0.0001505", + "-0.0000716", + "0.0000262", + "-0.0000109", + "0.0000026", + "-0.0000010" + ], + [ + "-0.0000004", + "-0.0000032", + "-0.0000168", + "-0.0000710", + "-0.0002592", + "-0.0008485", + "-0.0025529", + "-0.0071212", + "-0.0185196", + "-0.0442765", + "-0.0949084", + "-0.1686891", + "-0.2064392", + "-0.0317796", + "0.4213159", + "0.5622162", + "0.1859372", + "0.0032105", + "0.0030542", + "-0.0014589", + "0.0005509", + "-0.0001818", + "0.0000810", + "-0.0000187", + "0.0000068" + ], + [ + "0.0000002", + "0.0000015", + "0.0000080", + "0.0000339", + "0.0001237", + "0.0004052", + "0.0012202", + "0.0034096", + "0.0089066", + "0.0214811", + "0.0469131", + "0.0864618", + "0.1131616", + "0.0182157", + "-0.3446924", + "-0.6574876", + "-0.0721720", + "0.8313707", + "0.5060175", + "0.0527319", + "-0.0026696", + "0.0006292", + "-0.0003787", + "0.0000749", + "-0.0000254" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000040", + "-0.0000171", + "-0.0000625", + "-0.0002050", + "-0.0006162", + "-0.0017267", + "-0.0045032", + "-0.0109192", + "-0.0238627", + "-0.0446115", + "-0.0588713", + "-0.0106243", + "0.2013052", + "0.4151491", + "0.0585852", + "-0.9701573", + "-0.6407486", + "0.8589081", + "0.7161620", + "0.0573483", + "-0.0051888", + "0.0010999", + "-0.0004203" + ], + [ + "0.0000000", + "0.0000003", + "0.0000018", + "0.0000078", + "0.0000284", + "0.0000928", + "0.0002799", + "0.0007812", + "0.0020475", + "0.0049400", + "0.0108819", + "0.0202052", + "0.0271855", + "0.0042621", + "-0.0928590", + "-0.2032427", + "-0.0208264", + "0.5226348", + "0.4069114", + "-0.7675257", + "-0.9160972", + "0.8272643", + "0.7359980", + "0.0275432", + "-0.0051456" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000097", + "-0.0000319", + "-0.0000961", + "-0.0002683", + "-0.0007033", + "-0.0016969", + "-0.0037390", + "-0.0069449", + "-0.0093539", + "-0.0014650", + "0.0320934", + "0.0706831", + "0.0071088", + "-0.1864133", + "-0.1495562", + "0.3029675", + "0.3939617", + "-0.4866336", + "-0.6038304", + "0.7804832", + "0.5264329" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.5929680e+05", + "8.5001435e+04", + "2.7595046e+04", + "1.0557009e+04", + "4.4861547e+03", + "2.0532470e+03", + "9.9366373e+02", + "5.0156213e+02", + "2.6138255e+02", + "1.3926296e+02", + "7.4788260e+01", + "4.1087505e+01", + "2.2542065e+01", + "1.1989643e+01", + "6.4463204e+00", + "3.3154282e+00", + "1.7099139e+00", + "8.4116364e-01", + "3.3129862e-01", + "1.4248605e-01", + "5.7910901e-02" + ], + "coefficients": [ + [ + "0.0000158", + "0.0001415", + "0.0008296", + "0.0037954", + "0.0143873", + "0.0458997", + "0.1206705", + "0.2465208", + "0.3504214", + "0.2847215", + "0.0979555", + "0.0074477", + "0.0009346", + "-0.0005770", + "0.0002368", + "-0.0001440", + "0.0000828", + "-0.0000311", + "0.0000125", + "-0.0000057", + "0.0000016" + ], + [ + "-0.0000080", + "-0.0000718", + "-0.0004218", + "-0.0019391", + "-0.0074345", + "-0.0242445", + "-0.0663880", + "-0.1441071", + "-0.2190734", + "-0.1353263", + "0.2293345", + "0.5368165", + "0.3332985", + "0.0591674", + "0.0012470", + "0.0005146", + "-0.0003109", + "0.0000547", + "-0.0000291", + "0.0000137", + "-0.0000035" + ], + [ + "0.0000040", + "0.0000361", + "0.0002124", + "0.0009762", + "0.0037571", + "0.0123032", + "0.0340668", + "0.0750005", + "0.1164909", + "0.0637109", + "-0.1853763", + "-0.4633662", + "-0.1724977", + "0.5055705", + "0.5899923", + "0.1479950", + "0.0036383", + "0.0018577", + "-0.0004756", + "0.0001832", + "-0.0000607" + ], + [ + "-0.0000017", + "-0.0000156", + "-0.0000918", + "-0.0004221", + "-0.0016249", + "-0.0053306", + "-0.0147855", + "-0.0326958", + "-0.0509614", + "-0.0271440", + "0.0891776", + "0.2266387", + "0.0657463", + "-0.3474664", + "-0.4809760", + "0.1661888", + "0.6771382", + "0.3781041", + "0.0341502", + "-0.0020090", + "0.0009231" + ], + [ + "0.0000005", + "0.0000046", + "0.0000269", + "0.0001240", + "0.0004758", + "0.0015664", + "0.0043316", + "0.0096234", + "0.0149231", + "0.0080633", + "-0.0269003", + "-0.0672727", + "-0.0198195", + "0.1121927", + "0.1539053", + "-0.0737249", + "-0.2976312", + "-0.1718948", + "0.3546685", + "0.5877151", + "0.2508592" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.0310283e+04", + "3.1248993e+03", + "1.2237916e+03", + "5.4725551e+02", + "2.6501122e+02", + "1.3536497e+02", + "7.1368677e+01", + "3.8525635e+01", + "2.0815972e+01", + "1.1055259e+01", + "5.8565735e+00", + "2.9947135e+00", + "1.4793601e+00", + "6.9853869e-01", + "2.9390625e-01" + ], + "coefficients": [ + [ + "0.0001218", + "0.0012231", + "0.0074731", + "0.0324314", + "0.1030699", + "0.2353199", + "0.3602312", + "0.3183737", + "0.1310612", + "0.0184959", + "0.0009201", + "0.0000590", + "0.0000101", + "-0.0000076", + "0.0000029" + ], + [ + "-0.0000645", + "-0.0006476", + "-0.0039963", + "-0.0174990", + "-0.0569052", + "-0.1319415", + "-0.1965418", + "-0.1062884", + "0.2170000", + "0.4793194", + "0.3581785", + "0.0908542", + "0.0043068", + "0.0004687", + "-0.0001468" + ], + [ + "0.0000243", + "0.0002425", + "0.0015073", + "0.0065838", + "0.0215976", + "0.0499940", + "0.0746487", + "0.0321015", + "-0.1109835", + "-0.2339466", + "-0.1254649", + "0.2641674", + "0.5065980", + "0.3493009", + "0.0790227" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.1046602e+03", + "3.9126027e+02", + "1.7070327e+02", + "8.2889239e+01", + "4.2451708e+01", + "2.2455831e+01", + "1.1916585e+01", + "6.2705163e+00", + "3.1755792e+00", + "1.4646186e+00" + ], + "coefficients": [ + [ + "0.0002920", + "0.0029490", + "0.0166539", + "0.0607601", + "0.1555309", + "0.2768118", + "0.3442979", + "0.2878012", + "0.1368208", + "0.0255397" + ] + ] + } + ] + }, + "85": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.2211989e+08", + "3.3266411e+07", + "7.5734655e+06", + "2.1463608e+06", + "7.0040855e+05", + "2.5276363e+05", + "9.8462673e+04", + "4.0750239e+04", + "1.7724044e+04", + "8.0371554e+03", + "3.7755782e+03", + "1.8278875e+03", + "9.0697035e+02", + "4.5657863e+02", + "2.3238976e+02", + "1.2070788e+02", + "6.2563192e+01", + "3.4861972e+01", + "1.8750644e+01", + "9.1044520e+00", + "4.8597685e+00", + "2.0106474e+00", + "9.8885341e-01", + "2.6152702e-01", + "1.0450789e-01" + ], + "coefficients": [ + [ + "0.0000012", + "0.0000096", + "0.0000503", + "0.0002124", + "0.0007743", + "0.0025313", + "0.0075708", + "0.0208883", + "0.0528212", + "0.1194342", + "0.2278123", + "0.3266160", + "0.2824028", + "0.0994705", + "0.0055876", + "0.0010836", + "-0.0007916", + "0.0004913", + "-0.0002857", + "0.0001573", + "-0.0000764", + "0.0000288", + "-0.0000122", + "0.0000029", + "-0.0000010" + ], + [ + "-0.0000004", + "-0.0000032", + "-0.0000168", + "-0.0000710", + "-0.0002592", + "-0.0008485", + "-0.0025534", + "-0.0071261", + "-0.0185379", + "-0.0443237", + "-0.0949996", + "-0.1688494", + "-0.2065392", + "-0.0317076", + "0.4208541", + "0.5619626", + "0.1865790", + "0.0033721", + "0.0030648", + "-0.0014838", + "0.0005727", + "-0.0001942", + "0.0000877", + "-0.0000205", + "0.0000072" + ], + [ + "0.0000002", + "0.0000015", + "0.0000080", + "0.0000339", + "0.0001239", + "0.0004057", + "0.0012220", + "0.0034163", + "0.0089269", + "0.0215324", + "0.0470215", + "0.0866700", + "0.1133956", + "0.0181919", + "-0.3450580", + "-0.6582979", + "-0.0741214", + "0.8298462", + "0.5088297", + "0.0537220", + "-0.0028242", + "0.0006682", + "-0.0004049", + "0.0000831", + "-0.0000264" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000041", + "-0.0000172", + "-0.0000628", + "-0.0002059", + "-0.0006192", + "-0.0017358", + "-0.0045289", + "-0.0109817", + "-0.0240016", + "-0.0448692", + "-0.0592164", + "-0.0106233", + "0.2022666", + "0.4176279", + "0.0598218", + "-0.9724761", + "-0.6496040", + "0.8590321", + "0.7195866", + "0.0599170", + "-0.0053582", + "0.0010962", + "-0.0004204" + ], + [ + "0.0000000", + "0.0000004", + "0.0000019", + "0.0000079", + "0.0000289", + "0.0000944", + "0.0002850", + "0.0007957", + "0.0020863", + "0.0050339", + "0.0110891", + "0.0205924", + "0.0277053", + "0.0043210", + "-0.0945864", + "-0.2073149", + "-0.0216836", + "0.5318450", + "0.4198847", + "-0.7836158", + "-0.9398914", + "0.8289215", + "0.7506410", + "0.0294350", + "-0.0049759" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000103", + "-0.0000337", + "-0.0001017", + "-0.0002840", + "-0.0007442", + "-0.0017969", + "-0.0039569", + "-0.0073572", + "-0.0098946", + "-0.0015656", + "0.0340240", + "0.0748267", + "0.0079671", + "-0.1979165", + "-0.1600359", + "0.3217804", + "0.4257013", + "-0.5164508", + "-0.6462270", + "0.8050534", + "0.5284303" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.6756248e+05", + "8.6881373e+04", + "2.8179279e+04", + "1.0779465e+04", + "4.5850148e+03", + "2.1004245e+03", + "1.0168779e+03", + "5.1350195e+02", + "2.6792446e+02", + "1.4305403e+02", + "7.7091665e+01", + "4.2490273e+01", + "2.3390197e+01", + "1.2494848e+01", + "6.7590493e+00", + "3.5091248e+00", + "1.8226671e+00", + "9.0990088e-01", + "3.7114811e-01", + "1.6008196e-01", + "6.5096193e-02" + ], + "coefficients": [ + [ + "0.0000159", + "0.0001422", + "0.0008350", + "0.0038156", + "0.0144291", + "0.0459882", + "0.1208845", + "0.2466008", + "0.3496744", + "0.2840189", + "0.0984862", + "0.0078073", + "0.0009059", + "-0.0005601", + "0.0002293", + "-0.0001418", + "0.0000832", + "-0.0000318", + "0.0000128", + "-0.0000057", + "0.0000016" + ], + [ + "-0.0000080", + "-0.0000722", + "-0.0004252", + "-0.0019527", + "-0.0074684", + "-0.0243341", + "-0.0666258", + "-0.1444499", + "-0.2190055", + "-0.1355872", + "0.2258724", + "0.5340454", + "0.3370270", + "0.0616693", + "0.0013015", + "0.0005656", + "-0.0003450", + "0.0000671", + "-0.0000333", + "0.0000158", + "-0.0000036" + ], + [ + "0.0000041", + "0.0000364", + "0.0002149", + "0.0009870", + "0.0037892", + "0.0123996", + "0.0343278", + "0.0755035", + "0.1169405", + "0.0641886", + "-0.1838991", + "-0.4631571", + "-0.1810773", + "0.4966446", + "0.5946814", + "0.1549620", + "0.0045905", + "0.0018442", + "-0.0004842", + "0.0001588", + "-0.0000611" + ], + [ + "-0.0000018", + "-0.0000160", + "-0.0000944", + "-0.0004338", + "-0.0016659", + "-0.0054608", + "-0.0151462", + "-0.0334606", + "-0.0520175", + "-0.0277893", + "0.0900640", + "0.2307257", + "0.0715461", + "-0.3488573", + "-0.4965207", + "0.1557907", + "0.6847412", + "0.3804058", + "0.0354697", + "-0.0009979", + "0.0010303" + ], + [ + "0.0000006", + "0.0000050", + "0.0000293", + "0.0001351", + "0.0005170", + "0.0017010", + "0.0047023", + "0.0104408", + "0.0161404", + "0.0087616", + "-0.0288615", + "-0.0726104", + "-0.0229883", + "0.1202390", + "0.1689976", + "-0.0746847", + "-0.3270350", + "-0.1827846", + "0.3798678", + "0.5862015", + "0.2395596" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.0643712e+04", + "3.2255336e+03", + "1.2632778e+03", + "5.6520359e+02", + "2.7399426e+02", + "1.4017825e+02", + "7.4075768e+01", + "4.0103952e+01", + "2.1753450e+01", + "1.1603926e+01", + "6.1819481e+00", + "3.1877086e+00", + "1.5903326e+00", + "7.5983821e-01", + "3.2165810e-01" + ], + "coefficients": [ + [ + "0.0001202", + "0.0012085", + "0.0073876", + "0.0320641", + "0.1019314", + "0.2330194", + "0.3580129", + "0.3195122", + "0.1343521", + "0.0197279", + "0.0009342", + "0.0000796", + "0.0000003", + "-0.0000037", + "0.0000022" + ], + [ + "-0.0000641", + "-0.0006437", + "-0.0039738", + "-0.0174062", + "-0.0566096", + "-0.1314922", + "-0.1968022", + "-0.1100751", + "0.2098144", + "0.4769577", + "0.3628728", + "0.0947113", + "0.0047917", + "0.0004262", + "-0.0001519" + ], + [ + "0.0000249", + "0.0002485", + "0.0015443", + "0.0067492", + "0.0221411", + "0.0513597", + "0.0770474", + "0.0346619", + "-0.1118036", + "-0.2413542", + "-0.1342463", + "0.2651652", + "0.5150808", + "0.3438895", + "0.0728551" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.1651541e+03", + "4.1288701e+02", + "1.8019711e+02", + "8.7509780e+01", + "4.4824570e+01", + "2.3730227e+01", + "1.2620689e+01", + "6.6671702e+00", + "3.3970993e+00", + "1.5838307e+00" + ], + "coefficients": [ + [ + "0.0002771", + "0.0028124", + "0.0160062", + "0.0591217", + "0.1530490", + "0.2753635", + "0.3449863", + "0.2893231", + "0.1372338", + "0.0251832" + ] + ] + } + ] + }, + "86": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.3051489e+08", + "3.4505342e+07", + "7.8492703e+06", + "2.2227137e+06", + "7.2461765e+05", + "2.6124825e+05", + "1.0168558e+05", + "4.2056914e+04", + "1.8281557e+04", + "8.2852752e+03", + "3.8906055e+03", + "1.8834062e+03", + "9.3485158e+02", + "4.7122722e+02", + "2.3970254e+02", + "1.2464254e+02", + "6.4812006e+01", + "3.6096070e+01", + "1.9433780e+01", + "9.4536455e+00", + "5.0681574e+00", + "2.1238587e+00", + "1.0603030e+00", + "2.9209068e-01", + "1.1757566e-01" + ], + "coefficients": [ + [ + "0.0000012", + "0.0000094", + "0.0000495", + "0.0002095", + "0.0007649", + "0.0025036", + "0.0074955", + "0.0206996", + "0.0524067", + "0.1186703", + "0.2267564", + "0.3260307", + "0.2834661", + "0.1011457", + "0.0059906", + "0.0010295", + "-0.0007579", + "0.0004690", + "-0.0002761", + "0.0001546", + "-0.0000764", + "0.0000296", + "-0.0000127", + "0.0000030", + "-0.0000011" + ], + [ + "-0.0000004", + "-0.0000031", + "-0.0000166", + "-0.0000701", + "-0.0002562", + "-0.0008397", + "-0.0025293", + "-0.0070644", + "-0.0183967", + "-0.0440345", + "-0.0944922", + "-0.1682263", + "-0.2067903", + "-0.0350883", + "0.4160936", + "0.5633443", + "0.1907699", + "0.0043519", + "0.0029685", + "-0.0014604", + "0.0005705", + "-0.0001975", + "0.0000909", + "-0.0000215", + "0.0000072" + ], + [ + "0.0000002", + "0.0000015", + "0.0000079", + "0.0000335", + "0.0001226", + "0.0004019", + "0.0012119", + "0.0033909", + "0.0088697", + "0.0214163", + "0.0468230", + "0.0864277", + "0.1136242", + "0.0202847", + "-0.3407546", + "-0.6590790", + "-0.0871989", + "0.8255667", + "0.5184616", + "0.0561314", + "-0.0031124", + "0.0007458", + "-0.0004465", + "0.0000950", + "-0.0000286" + ], + [ + "-0.0000001", + "-0.0000008", + "-0.0000040", + "-0.0000171", + "-0.0000623", + "-0.0002047", + "-0.0006162", + "-0.0017286", + "-0.0045149", + "-0.0109583", + "-0.0239802", + "-0.0448893", + "-0.0595369", + "-0.0117826", + "0.2003745", + "0.4194565", + "0.0700097", + "-0.9682314", + "-0.6704462", + "0.8520855", + "0.7299751", + "0.0633569", + "-0.0057225", + "0.0011174", + "-0.0004327" + ], + [ + "0.0000000", + "0.0000004", + "0.0000019", + "0.0000079", + "0.0000290", + "0.0000951", + "0.0002871", + "0.0008024", + "0.0021058", + "0.0050866", + "0.0112175", + "0.0208630", + "0.0282008", + "0.0049359", + "-0.0949142", + "-0.2108881", + "-0.0273940", + "0.5369991", + "0.4396141", + "-0.7909783", + "-0.9708858", + "0.8287647", + "0.7657429", + "0.0314995", + "-0.0048611" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000029", + "-0.0000107", + "-0.0000350", + "-0.0001057", + "-0.0002955", + "-0.0007751", + "-0.0018741", + "-0.0041293", + "-0.0076956", + "-0.0103857", + "-0.0018629", + "0.0352879", + "0.0784807", + "0.0106208", + "-0.2069707", + "-0.1726617", + "0.3354855", + "0.4592956", + "-0.5425477", + "-0.6857558", + "0.8248112", + "0.5327617" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.7578428e+05", + "8.8958277e+04", + "2.8908362e+04", + "1.1075032e+04", + "4.7134661e+03", + "2.1602079e+03", + "1.0465554e+03", + "5.2882549e+02", + "2.7599463e+02", + "1.4736049e+02", + "7.9393219e+01", + "4.3783755e+01", + "2.4122425e+01", + "1.2908350e+01", + "7.0122608e+00", + "3.6610688e+00", + "1.9135473e+00", + "9.6853568e-01", + "4.0893305e-01", + "1.7778664e-01", + "7.2969633e-02" + ], + "coefficients": [ + [ + "0.0000159", + "0.0001421", + "0.0008312", + "0.0037919", + "0.0143396", + "0.0456850", + "0.1200763", + "0.2453983", + "0.3493429", + "0.2853908", + "0.0996217", + "0.0079110", + "0.0009508", + "-0.0005921", + "0.0002528", + "-0.0001568", + "0.0000935", + "-0.0000374", + "0.0000151", + "-0.0000064", + "0.0000018" + ], + [ + "-0.0000081", + "-0.0000723", + "-0.0004240", + "-0.0019435", + "-0.0074336", + "-0.0242086", + "-0.0662735", + "-0.1439255", + "-0.2191716", + "-0.1374394", + "0.2237836", + "0.5338840", + "0.3386801", + "0.0624475", + "0.0012648", + "0.0005836", + "-0.0003659", + "0.0000778", + "-0.0000376", + "0.0000159", + "-0.0000043" + ], + [ + "0.0000041", + "0.0000366", + "0.0002151", + "0.0009862", + "0.0037864", + "0.0123840", + "0.0342818", + "0.0755284", + "0.1175156", + "0.0655613", + "-0.1835145", + "-0.4653886", + "-0.1843826", + "0.4965103", + "0.5950659", + "0.1563645", + "0.0048221", + "0.0018320", + "-0.0004882", + "0.0001735", + "-0.0000516" + ], + [ + "-0.0000018", + "-0.0000164", + "-0.0000960", + "-0.0004406", + "-0.0016917", + "-0.0055432", + "-0.0153727", + "-0.0340231", + "-0.0531317", + "-0.0288814", + "0.0915488", + "0.2359541", + "0.0746208", + "-0.3572362", + "-0.5085022", + "0.1612104", + "0.6944261", + "0.3723005", + "0.0342598", + "-0.0013192", + "0.0005301" + ], + [ + "0.0000006", + "0.0000053", + "0.0000310", + "0.0001428", + "0.0005464", + "0.0017975", + "0.0049672", + "0.0110528", + "0.0171585", + "0.0094845", + "-0.0305992", + "-0.0773519", + "-0.0250458", + "0.1290924", + "0.1808941", + "-0.0810963", + "-0.3546614", + "-0.1849915", + "0.4050056", + "0.5842268", + "0.2262925" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.0860405e+04", + "3.2919901e+03", + "1.2897309e+03", + "5.7728208e+02", + "2.8009449e+02", + "1.4351867e+02", + "7.6004615e+01", + "4.1255103e+01", + "2.2448509e+01", + "1.2021464e+01", + "6.4390650e+00", + "3.3476260e+00", + "1.6860935e+00", + "8.1418748e-01", + "3.4636553e-01" + ], + "coefficients": [ + [ + "0.0001217", + "0.0012223", + "0.0074657", + "0.0323529", + "0.1025495", + "0.2334658", + "0.3573562", + "0.3181779", + "0.1342606", + "0.0199457", + "0.0009222", + "0.0000824", + "-0.0000034", + "-0.0000021", + "0.0000021" + ], + [ + "-0.0000652", + "-0.0006550", + "-0.0040395", + "-0.0176701", + "-0.0573058", + "-0.1325708", + "-0.1975928", + "-0.1098090", + "0.2098008", + "0.4766474", + "0.3617335", + "0.0950693", + "0.0049704", + "0.0003610", + "-0.0001523" + ], + [ + "0.0000260", + "0.0002597", + "0.0016127", + "0.0070399", + "0.0230304", + "0.0532136", + "0.0794805", + "0.0352672", + "-0.1155614", + "-0.2493550", + "-0.1371163", + "0.2725559", + "0.5224182", + "0.3339176", + "0.0661410" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.2136733e+03", + "4.3036536e+02", + "1.8808457e+02", + "9.1548981e+01", + "4.7050238e+01", + "2.5009244e+01", + "1.3362329e+01", + "7.0957955e+00", + "3.6393148e+00", + "1.7143822e+00" + ], + "coefficients": [ + [ + "0.0002711", + "0.0027567", + "0.0157010", + "0.0581031", + "0.1507150", + "0.2727921", + "0.3444643", + "0.2909471", + "0.1385340", + "0.0252450" + ] + ] + } + ] + }, + "87": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.9747429e+08", + "4.4537945e+07", + "1.0142504e+07", + "2.8769392e+06", + "9.4045646e+05", + "3.4038712e+05", + "1.3318769e+05", + "5.5472394e+04", + "2.4329529e+04", + "1.1145133e+04", + "5.2970082e+03", + "2.5973798e+03", + "1.3073398e+03", + "6.6951444e+02", + "3.3170848e+02", + "1.7745268e+02", + "9.5197607e+01", + "4.8480167e+01", + "2.7073935e+01", + "1.4323453e+01", + "7.8914516e+00", + "4.2496540e+00", + "2.1199318e+00", + "1.0762541e+00", + "3.4294488e-01", + "1.5110671e-01", + "2.2008875e-02", + "1.0014066e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000070", + "0.0000370", + "0.0001559", + "0.0005670", + "0.0018457", + "0.0054918", + "0.0150844", + "0.0381751", + "0.0876877", + "0.1756670", + "0.2836572", + "0.3165002", + "0.1878458", + "0.0349191", + "-0.0016398", + "0.0012189", + "-0.0008085", + "0.0005288", + "-0.0003449", + "0.0002300", + "-0.0001196", + "0.0000530", + "-0.0000198", + "0.0000053", + "-0.0000021", + "0.0000005", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000124", + "-0.0000522", + "-0.0001899", + "-0.0006189", + "-0.0018506", + "-0.0051270", + "-0.0132610", + "-0.0317625", + "-0.0694676", + "-0.1317757", + "-0.1961843", + "-0.1501781", + "0.1817494", + "0.5484473", + "0.4024043", + "0.0696072", + "-0.0046956", + "0.0025049", + "-0.0016019", + "0.0007229", + "-0.0002917", + "0.0001140", + "-0.0000304", + "0.0000117", + "-0.0000029", + "0.0000015" + ], + [ + "0.0000001", + "0.0000011", + "0.0000059", + "0.0000250", + "0.0000910", + "0.0002965", + "0.0008880", + "0.0024608", + "0.0063945", + "0.0153948", + "0.0342049", + "0.0664868", + "0.1045047", + "0.0862915", + "-0.1306693", + "-0.5385640", + "-0.5044581", + "0.4625673", + "0.7845271", + "0.2176152", + "0.0022513", + "0.0035279", + "-0.0015157", + "0.0003609", + "-0.0000924", + "0.0000428", + "-0.0000098", + "0.0000052" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000030", + "-0.0000128", + "-0.0000465", + "-0.0001514", + "-0.0004532", + "-0.0012574", + "-0.0032673", + "-0.0078870", + "-0.0175625", + "-0.0344236", + "-0.0546705", + "-0.0464647", + "0.0744608", + "0.3278162", + "0.3501061", + "-0.4630287", + "-1.0692858", + "0.0002025", + "1.0452447", + "0.4068984", + "0.0248329", + "0.0009905", + "-0.0000586", + "-0.0000640", + "0.0000066", + "-0.0000033" + ], + [ + "0.0000000", + "0.0000003", + "0.0000014", + "0.0000060", + "0.0000218", + "0.0000713", + "0.0002131", + "0.0005928", + "0.0015358", + "0.0037229", + "0.0082594", + "0.0163123", + "0.0257734", + "0.0224486", + "-0.0367356", + "-0.1598233", + "-0.1826454", + "0.2685627", + "0.6266016", + "0.0250242", + "-1.1559648", + "-0.5581625", + "0.9712347", + "0.6686560", + "0.0307364", + "-0.0046841", + "0.0009990", + "-0.0005254" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000023", + "-0.0000085", + "-0.0000277", + "-0.0000829", + "-0.0002303", + "-0.0005979", + "-0.0014457", + "-0.0032180", + "-0.0063326", + "-0.0100698", + "-0.0086760", + "0.0141784", + "0.0631951", + "0.0714811", + "-0.1066310", + "-0.2609462", + "-0.0054557", + "0.5336473", + "0.2987878", + "-0.6920177", + "-0.6792456", + "0.8320249", + "0.5754066", + "0.0113094", + "-0.0039039" + ], + [ + "0.0000000", + "0.0000000", + "0.0000001", + "0.0000005", + "0.0000020", + "0.0000065", + "0.0000195", + "0.0000538", + "0.0001405", + "0.0003376", + "0.0007575", + "0.0014758", + "0.0023812", + "0.0019883", + "-0.0032126", + "-0.0150887", + "-0.0162792", + "0.0239585", + "0.0638982", + "-0.0030573", + "-0.1206535", + "-0.0840610", + "0.1921604", + "0.1645497", + "-0.2405356", + "-0.4010545", + "0.8809245", + "0.2796456" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.0873456e+05", + "9.6693907e+04", + "3.1388996e+04", + "1.2008881e+04", + "5.1045251e+03", + "2.3368513e+03", + "1.1309006e+03", + "5.7092097e+02", + "2.9769649e+02", + "1.5892179e+02", + "8.5808809e+01", + "4.7255415e+01", + "2.6059608e+01", + "1.3988021e+01", + "7.6213894e+00", + "4.0212705e+00", + "2.1155832e+00", + "1.0805944e+00", + "4.6978766e-01", + "2.1265396e-01", + "9.0147381e-02" + ], + "coefficients": [ + [ + "0.0000143", + "0.0001281", + "0.0007519", + "0.0034448", + "0.0130997", + "0.0420819", + "0.1121127", + "0.2340722", + "0.3450316", + "0.2975132", + "0.1132293", + "0.0109198", + "0.0009686", + "-0.0005736", + "0.0002448", + "-0.0001610", + "0.0000978", + "-0.0000401", + "0.0000170", + "-0.0000073", + "0.0000020" + ], + [ + "-0.0000073", + "-0.0000653", + "-0.0003840", + "-0.0017677", + "-0.0067937", + "-0.0222888", + "-0.0617387", + "-0.1367851", + "-0.2161010", + "-0.1549865", + "0.1864499", + "0.5272717", + "0.3677282", + "0.0759163", + "0.0017522", + "0.0008212", + "-0.0004832", + "0.0001230", + "-0.0000584", + "0.0000252", + "-0.0000067" + ], + [ + "0.0000037", + "0.0000332", + "0.0001956", + "0.0009002", + "0.0034734", + "0.0114390", + "0.0320357", + "0.0719515", + "0.1162577", + "0.0769838", + "-0.1562046", + "-0.4588329", + "-0.2349624", + "0.4513188", + "0.6219836", + "0.1838241", + "0.0079784", + "0.0018994", + "-0.0005172", + "0.0001834", + "-0.0000517" + ], + [ + "-0.0000017", + "-0.0000150", + "-0.0000886", + "-0.0004079", + "-0.0015754", + "-0.0051935", + "-0.0145830", + "-0.0328657", + "-0.0533931", + "-0.0346307", + "0.0790783", + "0.2368003", + "0.1044650", + "-0.3292703", + "-0.5407984", + "0.0974749", + "0.6982450", + "0.4077021", + "0.0416389", + "-0.0016261", + "0.0005251" + ], + [ + "0.0000006", + "0.0000053", + "0.0000311", + "0.0001438", + "0.0005534", + "0.0018307", + "0.0051249", + "0.0116051", + "0.0187645", + "0.0123209", + "-0.0287705", + "-0.0846631", + "-0.0379470", + "0.1296769", + "0.2117148", + "-0.0615917", + "-0.3909337", + "-0.2340502", + "0.4201342", + "0.6183964", + "0.1897351" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.1915809e+04", + "3.6113530e+03", + "1.4143226e+03", + "6.3257356e+02", + "3.0667873e+02", + "1.5701301e+02", + "8.3139013e+01", + "4.5143608e+01", + "2.4612027e+01", + "1.3220086e+01", + "7.1101448e+00", + "3.7261576e+00", + "1.8959821e+00", + "9.2797378e-01", + "4.0607233e-01" + ], + "coefficients": [ + [ + "0.0001048", + "0.0010566", + "0.0065068", + "0.0286434", + "0.0928577", + "0.2183448", + "0.3487197", + "0.3314797", + "0.1527449", + "0.0257433", + "0.0011660", + "0.0001496", + "-0.0000253", + "0.0000058", + "0.0000004" + ], + [ + "-0.0000565", + "-0.0005693", + "-0.0035377", + "-0.0157178", + "-0.0520665", + "-0.1246907", + "-0.1954744", + "-0.1308879", + "0.1739570", + "0.4652820", + "0.3879433", + "0.1135492", + "0.0072402", + "0.0003818", + "-0.0001656" + ], + [ + "0.0000231", + "0.0002316", + "0.0014481", + "0.0064227", + "0.0214500", + "0.0513601", + "0.0807405", + "0.0464776", + "-0.1020352", + "-0.2506901", + "-0.1683547", + "0.2411022", + "0.5274145", + "0.3539139", + "0.0723706" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.2384109e+03", + "4.3900782e+02", + "1.9184951e+02", + "9.3419633e+01", + "4.8070162e+01", + "2.5604943e+01", + "1.3731395e+01", + "7.3349905e+00", + "3.7934647e+00", + "1.8097568e+00" + ], + "coefficients": [ + [ + "0.0002798", + "0.0028467", + "0.0161981", + "0.0597226", + "0.1539902", + "0.2759019", + "0.3444738", + "0.2859295", + "0.1332070", + "0.0234105" + ] + ] + } + ] + }, + "88": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.0389752e+08", + "4.5552414e+07", + "1.0375833e+07", + "2.9423400e+06", + "9.6165447e+05", + "3.4789432e+05", + "1.3597395e+05", + "5.6550090e+04", + "2.4768074e+04", + "1.1335948e+04", + "5.3874919e+03", + "2.6448011e+03", + "1.3343583e+03", + "6.8571772e+02", + "3.4236567e+02", + "1.8387754e+02", + "9.9042481e+01", + "5.1001449e+01", + "2.8791792e+01", + "1.5575083e+01", + "8.5306529e+00", + "4.6499626e+00", + "2.2906751e+00", + "1.1764839e+00", + "3.9980454e-01", + "1.8865371e-01", + "3.7449786e-02", + "1.6486124e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000070", + "0.0000370", + "0.0001561", + "0.0005675", + "0.0018497", + "0.0055151", + "0.0151785", + "0.0384593", + "0.0883133", + "0.1764906", + "0.2836590", + "0.3150361", + "0.1868913", + "0.0353019", + "-0.0014417", + "0.0011715", + "-0.0007922", + "0.0005226", + "-0.0003365", + "0.0002182", + "-0.0001132", + "0.0000502", + "-0.0000203", + "0.0000063", + "-0.0000027", + "0.0000007", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000124", + "-0.0000522", + "-0.0001902", + "-0.0006206", + "-0.0018594", + "-0.0051624", + "-0.0133687", + "-0.0320249", + "-0.0698964", + "-0.1320846", + "-0.1955968", + "-0.1498188", + "0.1754270", + "0.5422182", + "0.4091190", + "0.0750558", + "-0.0043636", + "0.0024774", + "-0.0015281", + "0.0006718", + "-0.0002677", + "0.0001143", + "-0.0000352", + "0.0000148", + "-0.0000038", + "0.0000018" + ], + [ + "0.0000001", + "0.0000011", + "0.0000059", + "0.0000251", + "0.0000913", + "0.0002977", + "0.0008931", + "0.0024812", + "0.0064534", + "0.0155453", + "0.0344565", + "0.0667675", + "0.1043172", + "0.0863174", + "-0.1262963", + "-0.5293003", + "-0.5168845", + "0.4164334", + "0.7910290", + "0.2490110", + "0.0089253", + "0.0026858", + "-0.0012076", + "0.0002681", + "-0.0000812", + "0.0000430", + "-0.0000099", + "0.0000046" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000030", + "-0.0000128", + "-0.0000467", + "-0.0001525", + "-0.0004574", + "-0.0012717", + "-0.0033086", + "-0.0079884", + "-0.0177544", + "-0.0346739", + "-0.0547863", + "-0.0465790", + "0.0720453", + "0.3232897", + "0.3582026", + "-0.4129441", + "-1.0721529", + "-0.1076707", + "1.0297736", + "0.4720531", + "0.0349680", + "0.0000462", + "0.0001654", + "-0.0001747", + "0.0000305", + "-0.0000143" + ], + [ + "0.0000000", + "0.0000003", + "0.0000014", + "0.0000061", + "0.0000222", + "0.0000727", + "0.0002176", + "0.0006065", + "0.0015734", + "0.0038146", + "0.0084473", + "0.0166234", + "0.0261297", + "0.0227771", + "-0.0360088", + "-0.1594083", + "-0.1891168", + "0.2436323", + "0.6336109", + "0.1025028", + "-1.1210830", + "-0.6787347", + "0.9397123", + "0.7193744", + "0.0387240", + "-0.0060856", + "0.0012812", + "-0.0005711" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000025", + "-0.0000091", + "-0.0000296", + "-0.0000888", + "-0.0002472", + "-0.0006421", + "-0.0015546", + "-0.0034497", + "-0.0067754", + "-0.0106942", + "-0.0092668", + "0.0146540", + "0.0659625", + "0.0780631", + "-0.1022055", + "-0.2754276", + "-0.0438991", + "0.5482228", + "0.3730342", + "-0.6961302", + "-0.7905784", + "0.8121212", + "0.6394429", + "0.0165478", + "-0.0049830" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000026", + "0.0000084", + "0.0000252", + "0.0000701", + "0.0001824", + "0.0004406", + "0.0009803", + "0.0019189", + "0.0030443", + "0.0026101", + "-0.0041115", + "-0.0188618", + "-0.0219821", + "0.0286503", + "0.0798775", + "0.0107811", + "-0.1568997", + "-0.1157679", + "0.2244133", + "0.2571297", + "-0.3269608", + "-0.4935128", + "0.7636577", + "0.4620276" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.2338961e+05", + "1.0018603e+05", + "3.2521500e+04", + "1.2435452e+04", + "5.2810291e+03", + "2.4152510e+03", + "1.1680591e+03", + "5.8967216e+02", + "3.0771124e+02", + "1.6454335e+02", + "8.9106791e+01", + "4.9198018e+01", + "2.7220871e+01", + "1.4694673e+01", + "8.0534875e+00", + "4.2915614e+00", + "2.2701467e+00", + "1.1706292e+00", + "5.2109596e-01", + "2.4279689e-01", + "1.0267986e-01" + ], + "coefficients": [ + [ + "0.0000140", + "0.0001254", + "0.0007366", + "0.0033811", + "0.0128921", + "0.0415312", + "0.1109167", + "0.2321274", + "0.3435441", + "0.2989391", + "0.1161935", + "0.0118740", + "0.0009663", + "-0.0005594", + "0.0002378", + "-0.0001602", + "0.0000986", + "-0.0000410", + "0.0000179", + "-0.0000076", + "0.0000020" + ], + [ + "-0.0000071", + "-0.0000640", + "-0.0003767", + "-0.0017375", + "-0.0066949", + "-0.0220236", + "-0.0611416", + "-0.1357669", + "-0.2154084", + "-0.1579697", + "0.1771058", + "0.5225407", + "0.3755075", + "0.0812561", + "0.0021567", + "0.0008738", + "-0.0005140", + "0.0001348", + "-0.0000647", + "0.0000277", + "-0.0000072" + ], + [ + "0.0000037", + "0.0000327", + "0.0001926", + "0.0008882", + "0.0034354", + "0.0113457", + "0.0318416", + "0.0716869", + "0.1163167", + "0.0792510", + "-0.1501409", + "-0.4560496", + "-0.2508132", + "0.4314876", + "0.6296945", + "0.1976993", + "0.0102626", + "0.0018124", + "-0.0005031", + "0.0001711", + "-0.0000428" + ], + [ + "-0.0000017", + "-0.0000150", + "-0.0000885", + "-0.0004081", + "-0.0015802", + "-0.0052228", + "-0.0147000", + "-0.0332017", + "-0.0541906", + "-0.0361763", + "0.0771799", + "0.2391536", + "0.1151672", + "-0.3205677", + "-0.5579757", + "0.0691825", + "0.7025544", + "0.4219645", + "0.0449578", + "-0.0016901", + "0.0003778" + ], + [ + "0.0000006", + "0.0000056", + "0.0000332", + "0.0001534", + "0.0005920", + "0.0019633", + "0.0055100", + "0.0125030", + "0.0203163", + "0.0137192", + "-0.0299912", + "-0.0913340", + "-0.0446521", + "0.1353654", + "0.2346834", + "-0.0534401", + "-0.4269771", + "-0.2650283", + "0.4524573", + "0.6349177", + "0.1569437" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.2716921e+04", + "3.8557645e+03", + "1.5110552e+03", + "6.7634478e+02", + "3.2815548e+02", + "1.6809138e+02", + "8.9067596e+01", + "4.8398994e+01", + "2.6439870e+01", + "1.4252982e+01", + "7.7016800e+00", + "4.0697548e+00", + "2.0913956e+00", + "1.0369272e+00", + "4.6525079e-01" + ], + "coefficients": [ + [ + "0.0000958", + "0.0009672", + "0.0059706", + "0.0264605", + "0.0868218", + "0.2082218", + "0.3418080", + "0.3390632", + "0.1656519", + "0.0304290", + "0.0014253", + "0.0001999", + "-0.0000422", + "0.0000122", + "-0.0000010" + ], + [ + "-0.0000519", + "-0.0005241", + "-0.0032624", + "-0.0145933", + "-0.0488825", + "-0.1195613", + "-0.1935316", + "-0.1437057", + "0.1492868", + "0.4546243", + "0.4044083", + "0.1278837", + "0.0094557", + "0.0003705", + "-0.0001675" + ], + [ + "0.0000217", + "0.0002183", + "0.0013666", + "0.0061050", + "0.0206069", + "0.0504357", + "0.0818740", + "0.0539822", + "-0.0929518", + "-0.2519001", + "-0.1902801", + "0.2178854", + "0.5303371", + "0.3677963", + "0.0763315" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.2700525e+03", + "4.5026780e+02", + "1.9690874e+02", + "9.5977888e+01", + "4.9468845e+01", + "2.6420880e+01", + "1.4229014e+01", + "7.6451619e+00", + "3.9838960e+00", + "1.9214472e+00" + ], + "coefficients": [ + [ + "0.0002845", + "0.0028946", + "0.0164500", + "0.0605505", + "0.1555821", + "0.2771062", + "0.3439814", + "0.2830296", + "0.1303442", + "0.0223748" + ] + ] + } + ] + }, + "89": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.1017395e+08", + "4.6432467e+07", + "1.0569193e+07", + "2.9963853e+06", + "9.7912022e+05", + "3.5431004e+05", + "1.3861130e+05", + "5.7714042e+04", + "2.5300014e+04", + "1.1584846e+04", + "5.5068515e+03", + "2.7035932e+03", + "1.3642301e+03", + "7.0137478e+02", + "3.5061471e+02", + "1.8842618e+02", + "1.0158908e+02", + "5.2432165e+01", + "2.9634945e+01", + "1.6074898e+01", + "8.8319554e+00", + "4.8246258e+00", + "2.4093748e+00", + "1.2522079e+00", + "4.4510862e-01", + "2.1169407e-01", + "4.4016692e-02", + "1.8958166e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000372", + "0.0001570", + "0.0005709", + "0.0018586", + "0.0055316", + "0.0152013", + "0.0384914", + "0.0883691", + "0.1765920", + "0.2837484", + "0.3149041", + "0.1866582", + "0.0352964", + "-0.0014131", + "0.0011630", + "-0.0007900", + "0.0005238", + "-0.0003405", + "0.0002232", + "-0.0001182", + "0.0000542", + "-0.0000225", + "0.0000071", + "-0.0000030", + "0.0000007", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000125", + "-0.0000526", + "-0.0001914", + "-0.0006240", + "-0.0018659", + "-0.0051731", + "-0.0133877", + "-0.0320658", + "-0.0699854", + "-0.1322446", + "-0.1956955", + "-0.1497509", + "0.1750895", + "0.5416615", + "0.4095417", + "0.0755831", + "-0.0042955", + "0.0024807", + "-0.0015444", + "0.0006926", + "-0.0002853", + "0.0001242", + "-0.0000390", + "0.0000160", + "-0.0000040", + "0.0000018" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000252", + "0.0000920", + "0.0002996", + "0.0008973", + "0.0024893", + "0.0064701", + "0.0155843", + "0.0345424", + "0.0669389", + "0.1045139", + "0.0864262", + "-0.1263320", + "-0.5295179", + "-0.5185666", + "0.4132939", + "0.7916142", + "0.2520933", + "0.0093770", + "0.0026877", + "-0.0012569", + "0.0002865", + "-0.0000865", + "0.0000453", + "-0.0000101", + "0.0000045" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000031", + "-0.0000130", + "-0.0000472", + "-0.0001540", + "-0.0004610", + "-0.0012799", + "-0.0033277", + "-0.0080338", + "-0.0178556", + "-0.0348748", + "-0.0550715", + "-0.0467957", + "0.0723247", + "0.3246771", + "0.3608640", + "-0.4120822", + "-1.0769677", + "-0.1176069", + "1.0334981", + "0.4764024", + "0.0359003", + "0.0002291", + "0.0001081", + "-0.0001625", + "0.0000250", + "-0.0000114" + ], + [ + "0.0000000", + "0.0000003", + "0.0000015", + "0.0000062", + "0.0000227", + "0.0000742", + "0.0002217", + "0.0006170", + "0.0015998", + "0.0038776", + "0.0085891", + "0.0168993", + "0.0265606", + "0.0231214", + "-0.0365193", + "-0.1620125", + "-0.1926267", + "0.2459770", + "0.6455455", + "0.1111448", + "-1.1440805", + "-0.6979025", + "0.9476247", + "0.7296361", + "0.0409844", + "-0.0057969", + "0.0012015", + "-0.0005109" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000026", + "-0.0000095", + "-0.0000312", + "-0.0000932", + "-0.0002591", + "-0.0006728", + "-0.0016282", + "-0.0036146", + "-0.0070967", + "-0.0112038", + "-0.0096896", + "0.0153060", + "0.0691365", + "0.0819396", + "-0.1063530", + "-0.2900888", + "-0.0489208", + "0.5794498", + "0.4006238", + "-0.7358259", + "-0.8401341", + "0.8364695", + "0.6520344", + "0.0183859", + "-0.0051392" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000008", + "0.0000028", + "0.0000091", + "0.0000273", + "0.0000759", + "0.0001974", + "0.0004771", + "0.0010611", + "0.0020785", + "0.0032933", + "0.0028271", + "-0.0044544", + "-0.0203993", + "-0.0239269", + "0.0309914", + "0.0867085", + "0.0131396", + "-0.1728983", + "-0.1277768", + "0.2455999", + "0.2888876", + "-0.3680658", + "-0.4970878", + "0.7396310", + "0.4949597" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.3129190e+05", + "1.0208821e+05", + "3.3170111e+04", + "1.2709022e+04", + "5.4142121e+03", + "2.4865477e+03", + "1.2080551e+03", + "6.1234904e+02", + "3.2051929e+02", + "1.7178755e+02", + "9.3257235e+01", + "5.1527762e+01", + "2.8557181e+01", + "1.5473383e+01", + "8.5129922e+00", + "4.5690060e+00", + "2.4272617e+00", + "1.2627660e+00", + "5.7279315e-01", + "2.6986991e-01", + "1.1410832e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001263", + "0.0007400", + "0.0033797", + "0.0127988", + "0.0409185", + "0.1087417", + "0.2278104", + "0.3403726", + "0.3021765", + "0.1216732", + "0.0133909", + "0.0009746", + "-0.0005447", + "0.0002312", + "-0.0001603", + "0.0001001", + "-0.0000422", + "0.0000186", + "-0.0000078", + "0.0000020" + ], + [ + "-0.0000072", + "-0.0000646", + "-0.0003790", + "-0.0017394", + "-0.0066559", + "-0.0217278", + "-0.0599924", + "-0.1332778", + "-0.2134993", + "-0.1634222", + "0.1623810", + "0.5173815", + "0.3868758", + "0.0880479", + "0.0026357", + "0.0009447", + "-0.0005548", + "0.0001502", + "-0.0000714", + "0.0000305", + "-0.0000076" + ], + [ + "0.0000037", + "0.0000331", + "0.0001945", + "0.0008925", + "0.0034280", + "0.0112344", + "0.0313559", + "0.0706158", + "0.1156969", + "0.0830883", + "-0.1399750", + "-0.4524204", + "-0.2712316", + "0.4092381", + "0.6389854", + "0.2121879", + "0.0125752", + "0.0017535", + "-0.0004866", + "0.0001530", + "-0.0000389" + ], + [ + "-0.0000017", + "-0.0000154", + "-0.0000906", + "-0.0004154", + "-0.0015979", + "-0.0052394", + "-0.0146700", + "-0.0331336", + "-0.0546376", + "-0.0384964", + "0.0730318", + "0.2408335", + "0.1287751", + "-0.3096342", + "-0.5755814", + "0.0405245", + "0.7068037", + "0.4356811", + "0.0474532", + "-0.0015941", + "0.0003590" + ], + [ + "0.0000007", + "0.0000060", + "0.0000352", + "0.0001621", + "0.0006217", + "0.0020456", + "0.0057112", + "0.0129598", + "0.0212781", + "0.0151577", + "-0.0295315", + "-0.0956613", + "-0.0519244", + "0.1364919", + "0.2530229", + "-0.0422179", + "-0.4529078", + "-0.2901345", + "0.4746872", + "0.6365826", + "0.1492561" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.5639642e+04", + "4.7430293e+03", + "1.8620037e+03", + "8.3620099e+02", + "4.0820879e+02", + "2.1063829e+02", + "1.1279777e+02", + "6.1908057e+01", + "3.4433263e+01", + "1.9106849e+01", + "1.0548966e+01", + "5.7890127e+00", + "3.1062282e+00", + "1.6269631e+00", + "8.1315942e-01", + "3.5167511e-01", + "1.4635391e-01", + "5.5939378e-02" + ], + "coefficients": [ + [ + "0.0000639", + "0.0006487", + "0.0040469", + "0.0183224", + "0.0624814", + "0.1604931", + "0.2946275", + "0.3555890", + "0.2340750", + "0.0692795", + "0.0065941", + "0.0004965", + "-0.0000632", + "0.0000315", + "-0.0000128", + "0.0000066", + "-0.0000022", + "0.0000007" + ], + [ + "-0.0000347", + "-0.0003536", + "-0.0022172", + "-0.0101384", + "-0.0351167", + "-0.0923460", + "-0.1697545", + "-0.1840220", + "0.0118639", + "0.3391803", + "0.4677117", + "0.2472851", + "0.0448801", + "0.0015391", + "-0.0000076", + "-0.0000696", + "0.0000071", + "-0.0000036" + ], + [ + "0.0000148", + "0.0001510", + "0.0009465", + "0.0043426", + "0.0150772", + "0.0398976", + "0.0732825", + "0.0773376", + "-0.0254330", + "-0.1932653", + "-0.2644266", + "-0.0038327", + "0.4112396", + "0.4948669", + "0.2112840", + "0.0222881", + "-0.0006691", + "0.0002913" + ], + [ + "-0.0000041", + "-0.0000425", + "-0.0002647", + "-0.0012203", + "-0.0042219", + "-0.0112269", + "-0.0205166", + "-0.0217590", + "0.0083145", + "0.0557889", + "0.0782092", + "-0.0099024", + "-0.1414812", + "-0.1908488", + "0.0408706", + "0.4125920", + "0.5106454", + "0.2275511" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.3746799e+03", + "4.8730496e+02", + "2.1284261e+02", + "1.0355562e+02", + "5.3257001e+01", + "2.8384422e+01", + "1.5261829e+01", + "8.1957206e+00", + "4.2776311e+00", + "2.0754534e+00" + ], + "coefficients": [ + [ + "0.0002506", + "0.0025829", + "0.0149534", + "0.0565309", + "0.1490737", + "0.2730067", + "0.3461315", + "0.2893963", + "0.1344132", + "0.0230890" + ] + ] + } + ] + }, + "90": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.1846178e+08", + "4.7694533e+07", + "1.0858760e+07", + "3.0769072e+06", + "1.0043816e+06", + "3.6300638e+05", + "1.4188328e+05", + "5.9050063e+04", + "2.5884037e+04", + "1.1854104e+04", + "5.6363357e+03", + "2.7684074e+03", + "1.3979475e+03", + "7.1941461e+02", + "3.6042016e+02", + "1.9392662e+02", + "1.0464106e+02", + "5.3994389e+01", + "3.0579310e+01", + "1.6625654e+01", + "9.1637330e+00", + "5.0195162e+00", + "2.5258069e+00", + "1.3276845e+00", + "4.8953341e-01", + "2.3290159e-01", + "4.9272008e-02", + "2.0842632e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000070", + "0.0000370", + "0.0001563", + "0.0005693", + "0.0018565", + "0.0055294", + "0.0151965", + "0.0384693", + "0.0882919", + "0.1763899", + "0.2833412", + "0.3146445", + "0.1871282", + "0.0357447", + "-0.0013655", + "0.0011581", + "-0.0007899", + "0.0005283", + "-0.0003464", + "0.0002292", + "-0.0001230", + "0.0000578", + "-0.0000245", + "0.0000078", + "-0.0000032", + "0.0000008", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000124", + "-0.0000524", + "-0.0001910", + "-0.0006236", + "-0.0018661", + "-0.0051742", + "-0.0133865", + "-0.0320548", + "-0.0699335", + "-0.1320952", + "-0.1954440", + "-0.1503595", + "0.1717120", + "0.5395410", + "0.4131307", + "0.0775909", + "-0.0046175", + "0.0026960", + "-0.0016799", + "0.0007702", + "-0.0003272", + "0.0001446", + "-0.0000457", + "0.0000181", + "-0.0000044", + "0.0000019" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000252", + "0.0000919", + "0.0002998", + "0.0008985", + "0.0024927", + "0.0064770", + "0.0155971", + "0.0345578", + "0.0669419", + "0.1045028", + "0.0868661", + "-0.1239332", + "-0.5269759", + "-0.5237270", + "0.4044572", + "0.7939248", + "0.2574321", + "0.0099563", + "0.0027308", + "-0.0013126", + "0.0003098", + "-0.0000922", + "0.0000471", + "-0.0000101", + "0.0000044" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000031", + "-0.0000130", + "-0.0000473", + "-0.0001545", + "-0.0004630", + "-0.0012855", + "-0.0033415", + "-0.0080651", + "-0.0179194", + "-0.0349847", + "-0.0552425", + "-0.0471786", + "0.0711701", + "0.3241448", + "0.3654616", + "-0.4052287", + "-1.0824609", + "-0.1344120", + "1.0354706", + "0.4848906", + "0.0375461", + "0.0001788", + "0.0000987", + "-0.0001690", + "0.0000243", + "-0.0000108" + ], + [ + "0.0000000", + "0.0000003", + "0.0000015", + "0.0000063", + "0.0000230", + "0.0000752", + "0.0002249", + "0.0006261", + "0.0016231", + "0.0039326", + "0.0087093", + "0.0171269", + "0.0269224", + "0.0235474", + "-0.0363164", + "-0.1635119", + "-0.1970989", + "0.2448554", + "0.6570880", + "0.1254643", + "-1.1636623", + "-0.7202746", + "0.9562871", + "0.7370323", + "0.0426561", + "-0.0053670", + "0.0011078", + "-0.0004576" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000099", + "-0.0000324", + "-0.0000969", + "-0.0002693", + "-0.0006992", + "-0.0016912", + "-0.0037543", + "-0.0073655", + "-0.0116347", + "-0.0101024", + "0.0155755", + "0.0715276", + "0.0858692", + "-0.1084037", + "-0.3033887", + "-0.0564746", + "0.6059974", + "0.4290350", + "-0.7748748", + "-0.8799992", + "0.8615285", + "0.6605507", + "0.0190460", + "-0.0051155" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000008", + "0.0000029", + "0.0000096", + "0.0000288", + "0.0000800", + "0.0002079", + "0.0005023", + "0.0011169", + "0.0021869", + "0.0034654", + "0.0029899", + "-0.0045993", + "-0.0213819", + "-0.0254489", + "0.0320848", + "0.0918781", + "0.0157572", + "-0.1840649", + "-0.1388417", + "0.2639094", + "0.3105423", + "-0.3987320", + "-0.4916744", + "0.7237131", + "0.5126957" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.4262862e+05", + "1.0475801e+05", + "3.4027551e+04", + "1.3029923e+04", + "5.5459927e+03", + "2.5442436e+03", + "1.2350963e+03", + "6.2625990e+02", + "3.2837001e+02", + "1.7649044e+02", + "9.6183616e+01", + "5.3302632e+01", + "2.9628121e+01", + "1.6113653e+01", + "8.9080676e+00", + "4.8127732e+00", + "2.5698130e+00", + "1.3498690e+00", + "6.2441899e-01", + "2.9630910e-01", + "1.2571712e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001257", + "0.0007370", + "0.0033709", + "0.0127930", + "0.0409884", + "0.1089623", + "0.2276926", + "0.3391610", + "0.3013665", + "0.1227506", + "0.0140853", + "0.0009342", + "-0.0005073", + "0.0002088", + "-0.0001490", + "0.0000954", + "-0.0000403", + "0.0000178", + "-0.0000074", + "0.0000018" + ], + [ + "-0.0000072", + "-0.0000644", + "-0.0003780", + "-0.0017374", + "-0.0066623", + "-0.0217982", + "-0.0602091", + "-0.1334492", + "-0.2130744", + "-0.1638226", + "0.1575128", + "0.5133498", + "0.3913667", + "0.0918316", + "0.0028990", + "0.0010076", + "-0.0005962", + "0.0001678", + "-0.0000783", + "0.0000334", + "-0.0000079" + ], + [ + "0.0000037", + "0.0000331", + "0.0001946", + "0.0008947", + "0.0034435", + "0.0113125", + "0.0315844", + "0.0709803", + "0.1159026", + "0.0837390", + "-0.1370738", + "-0.4506807", + "-0.2806670", + "0.3967628", + "0.6428008", + "0.2212026", + "0.0142761", + "0.0016930", + "-0.0004732", + "0.0001338", + "-0.0000357" + ], + [ + "-0.0000017", + "-0.0000156", + "-0.0000918", + "-0.0004217", + "-0.0016252", + "-0.0053418", + "-0.0149627", + "-0.0337246", + "-0.0554319", + "-0.0392930", + "0.0725464", + "0.2433038", + "0.1361910", + "-0.3059109", + "-0.5889008", + "0.0240260", + "0.7114190", + "0.4427053", + "0.0489307", + "-0.0013191", + "0.0003187" + ], + [ + "0.0000007", + "0.0000063", + "0.0000368", + "0.0001695", + "0.0006512", + "0.0021478", + "0.0059992", + "0.0135857", + "0.0222338", + "0.0159356", + "-0.0302616", + "-0.0996358", + "-0.0566488", + "0.1396413", + "0.2680081", + "-0.0358805", + "-0.4769120", + "-0.3079868", + "0.4937503", + "0.6366631", + "0.1449141" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.5994522e+04", + "4.8491047e+03", + "1.9010811e+03", + "8.5229000e+02", + "4.1557978e+02", + "2.1450643e+02", + "1.1507107e+02", + "6.3331270e+01", + "3.5320948e+01", + "1.9645881e+01", + "1.0881579e+01", + "5.9877835e+00", + "3.2256394e+00", + "1.7033229e+00", + "8.6298070e-01", + "3.8709288e-01", + "1.6713104e-01", + "6.6229855e-02" + ], + "coefficients": [ + [ + "0.0000642", + "0.0006527", + "0.0040880", + "0.0185734", + "0.0633302", + "0.1618925", + "0.2951310", + "0.3540414", + "0.2325792", + "0.0689521", + "0.0065188", + "0.0005062", + "-0.0000791", + "0.0000393", + "-0.0000167", + "0.0000086", + "-0.0000028", + "0.0000009" + ], + [ + "-0.0000351", + "-0.0003577", + "-0.0022519", + "-0.0103328", + "-0.0357987", + "-0.0936857", + "-0.1709918", + "-0.1837602", + "0.0136062", + "0.3408544", + "0.4675888", + "0.2451510", + "0.0438066", + "0.0014450", + "-0.0000205", + "-0.0000680", + "0.0000042", + "-0.0000032" + ], + [ + "0.0000152", + "0.0001558", + "0.0009811", + "0.0045158", + "0.0156889", + "0.0413074", + "0.0753592", + "0.0786705", + "-0.0272245", + "-0.1993186", + "-0.2707417", + "0.0018395", + "0.4242679", + "0.4917446", + "0.1979780", + "0.0201518", + "-0.0002392", + "0.0002016" + ], + [ + "-0.0000046", + "-0.0000476", + "-0.0002983", + "-0.0013781", + "-0.0047763", + "-0.0126241", + "-0.0229445", + "-0.0239998", + "0.0096189", + "0.0629047", + "0.0869397", + "-0.0132958", + "-0.1623610", + "-0.2076841", + "0.0593846", + "0.4432795", + "0.4948331", + "0.1923762" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.3770311e+03", + "4.8829931e+02", + "2.1363229e+02", + "1.0428254e+02", + "5.3918242e+01", + "2.8933025e+01", + "1.5688257e+01", + "8.5070372e+00", + "4.4867625e+00", + "2.2045632e+00" + ], + "coefficients": [ + [ + "0.0002702", + "0.0027700", + "0.0158697", + "0.0589615", + "0.1525998", + "0.2742514", + "0.3432964", + "0.2843656", + "0.1315842", + "0.0224830" + ] + ] + } + ] + }, + "91": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.2592488e+08", + "4.8786927e+07", + "1.1091483e+07", + "3.1397239e+06", + "1.0245100e+06", + "3.7015242e+05", + "1.4468051e+05", + "6.0230911e+04", + "2.6406937e+04", + "1.2093518e+04", + "5.7483347e+03", + "2.8213528e+03", + "1.4229540e+03", + "7.3112257e+02", + "3.6487858e+02", + "1.9602511e+02", + "1.0574835e+02", + "5.4578570e+01", + "3.0745616e+01", + "1.6597248e+01", + "9.2253653e+00", + "5.0398642e+00", + "2.5833610e+00", + "1.3467301e+00", + "4.8613298e-01", + "2.2773681e-01", + "4.5282101e-02", + "1.9404377e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000070", + "0.0000371", + "0.0001567", + "0.0005712", + "0.0018630", + "0.0055460", + "0.0152353", + "0.0385609", + "0.0885176", + "0.1769097", + "0.2842379", + "0.3150626", + "0.1859695", + "0.0347682", + "-0.0014693", + "0.0011651", + "-0.0007889", + "0.0005251", + "-0.0003499", + "0.0002362", + "-0.0001277", + "0.0000600", + "-0.0000241", + "0.0000073", + "-0.0000029", + "0.0000007", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000124", + "-0.0000525", + "-0.0001917", + "-0.0006261", + "-0.0018728", + "-0.0051901", + "-0.0134274", + "-0.0321578", + "-0.0702161", + "-0.1327143", + "-0.1963490", + "-0.1491430", + "0.1795940", + "0.5441468", + "0.4053782", + "0.0732178", + "-0.0042966", + "0.0024739", + "-0.0015921", + "0.0007373", + "-0.0003122", + "0.0001308", + "-0.0000397", + "0.0000154", + "-0.0000038", + "0.0000017" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000253", + "0.0000923", + "0.0003013", + "0.0009027", + "0.0025031", + "0.0065043", + "0.0156647", + "0.0347411", + "0.0673454", + "0.1051774", + "0.0863476", + "-0.1303389", + "-0.5363623", + "-0.5139886", + "0.4341595", + "0.7897578", + "0.2401044", + "0.0063672", + "0.0031051", + "-0.0014647", + "0.0003472", + "-0.0000982", + "0.0000480", + "-0.0000104", + "0.0000047" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000031", + "-0.0000131", + "-0.0000477", + "-0.0001558", + "-0.0004665", + "-0.0012946", + "-0.0033648", + "-0.0081236", + "-0.0180640", + "-0.0353025", + "-0.0557571", + "-0.0470804", + "0.0752245", + "0.3315604", + "0.3616615", + "-0.4409328", + "-1.0891851", + "-0.0784088", + "1.0537149", + "0.4504585", + "0.0315513", + "0.0010434", + "-0.0000777", + "-0.0000859", + "0.0000073", + "-0.0000036" + ], + [ + "0.0000000", + "0.0000003", + "0.0000015", + "0.0000064", + "0.0000233", + "0.0000762", + "0.0002277", + "0.0006335", + "0.0016427", + "0.0039802", + "0.0088248", + "0.0173646", + "0.0273218", + "0.0235986", + "-0.0385020", + "-0.1684229", + "-0.1962123", + "0.2671994", + "0.6691964", + "0.0862658", + "-1.2239679", + "-0.6552072", + "0.9977610", + "0.7039608", + "0.0384899", + "-0.0048446", + "0.0010171", + "-0.0004406" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000098", + "-0.0000321", + "-0.0000960", + "-0.0002668", + "-0.0006930", + "-0.0016759", + "-0.0037259", + "-0.0073112", + "-0.0115666", + "-0.0099051", + "0.0161565", + "0.0722155", + "0.0836154", + "-0.1157687", + "-0.3035422", + "-0.0360028", + "0.6266914", + "0.3838854", + "-0.7988100", + "-0.8049655", + "0.8479652", + "0.6451419", + "0.0169654", + "-0.0049282" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000008", + "0.0000028", + "0.0000090", + "0.0000271", + "0.0000751", + "0.0001954", + "0.0004717", + "0.0010510", + "0.0020569", + "0.0032675", + "0.0027744", + "-0.0045131", + "-0.0204844", + "-0.0234328", + "0.0323817", + "0.0873105", + "0.0086089", + "-0.1795013", + "-0.1187354", + "0.2571376", + "0.2629145", + "-0.3484739", + "-0.4816153", + "0.7355720", + "0.4868175" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.5166507e+05", + "1.0689349e+05", + "3.4730351e+04", + "1.3304848e+04", + "5.6660532e+03", + "2.6005628e+03", + "1.2626385e+03", + "6.4015075e+02", + "3.3559813e+02", + "1.8038058e+02", + "9.8345972e+01", + "5.4529481e+01", + "3.0308886e+01", + "1.6472230e+01", + "9.1178215e+00", + "4.9240561e+00", + "2.6312209e+00", + "1.3740182e+00", + "6.2687107e-01", + "2.9398705e-01", + "1.2458025e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001263", + "0.0007395", + "0.0033795", + "0.0128123", + "0.0410307", + "0.1091048", + "0.2280680", + "0.3395115", + "0.3010263", + "0.1221728", + "0.0139631", + "0.0009109", + "-0.0004966", + "0.0002028", + "-0.0001429", + "0.0000907", + "-0.0000373", + "0.0000163", + "-0.0000068", + "0.0000017" + ], + [ + "-0.0000072", + "-0.0000647", + "-0.0003798", + "-0.0017443", + "-0.0066819", + "-0.0218532", + "-0.0603817", + "-0.1339035", + "-0.2136751", + "-0.1635511", + "0.1593821", + "0.5144356", + "0.3902491", + "0.0905816", + "0.0026294", + "0.0010016", + "-0.0005955", + "0.0001632", + "-0.0000759", + "0.0000320", + "-0.0000079" + ], + [ + "0.0000037", + "0.0000334", + "0.0001962", + "0.0009012", + "0.0034650", + "0.0113788", + "0.0317820", + "0.0714710", + "0.1166433", + "0.0838076", + "-0.1392623", + "-0.4540269", + "-0.2788363", + "0.4052250", + "0.6428692", + "0.2148309", + "0.0130554", + "0.0017414", + "-0.0004543", + "0.0001417", + "-0.0000363" + ], + [ + "-0.0000018", + "-0.0000158", + "-0.0000930", + "-0.0004270", + "-0.0016439", + "-0.0054022", + "-0.0151349", + "-0.0341462", + "-0.0560779", + "-0.0395546", + "0.0742720", + "0.2466089", + "0.1360321", + "-0.3165095", + "-0.5958966", + "0.0478804", + "0.7189722", + "0.4278785", + "0.0457326", + "-0.0012586", + "0.0003304" + ], + [ + "0.0000007", + "0.0000062", + "0.0000362", + "0.0001668", + "0.0006403", + "0.0021115", + "0.0058987", + "0.0133721", + "0.0218639", + "0.0155974", + "-0.0301253", + "-0.0981709", + "-0.0550366", + "0.1405956", + "0.2636824", + "-0.0486666", + "-0.4669558", + "-0.2770757", + "0.4777737", + "0.6312968", + "0.1510634" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.6362417e+04", + "4.9612173e+03", + "1.9439972e+03", + "8.7123266e+02", + "4.2490378e+02", + "2.1940304e+02", + "1.1771356e+02", + "6.4786353e+01", + "3.6132336e+01", + "2.0116106e+01", + "1.1180216e+01", + "6.1812809e+00", + "3.3502953e+00", + "1.7728555e+00", + "8.9472980e-01", + "3.9422267e-01", + "1.6637675e-01", + "6.4314934e-02" + ], + "coefficients": [ + [ + "0.0000644", + "0.0006549", + "0.0041086", + "0.0186716", + "0.0636106", + "0.1625153", + "0.2961053", + "0.3542070", + "0.2312674", + "0.0679131", + "0.0063566", + "0.0004845", + "-0.0000849", + "0.0000298", + "-0.0000172", + "0.0000059", + "-0.0000032", + "0.0000004" + ], + [ + "-0.0000353", + "-0.0003606", + "-0.0022743", + "-0.0104388", + "-0.0361411", + "-0.0945321", + "-0.1724469", + "-0.1842853", + "0.0165510", + "0.3443729", + "0.4661903", + "0.2412701", + "0.0428792", + "0.0016173", + "0.0000016", + "-0.0000533", + "-0.0000044", + "-0.0000047" + ], + [ + "0.0000155", + "0.0001580", + "0.0009972", + "0.0045903", + "0.0159420", + "0.0419440", + "0.0765089", + "0.0792574", + "-0.0292871", + "-0.2034591", + "-0.2722155", + "0.0081636", + "0.4261129", + "0.4867822", + "0.2000452", + "0.0211046", + "-0.0007803", + "0.0000456" + ], + [ + "-0.0000046", + "-0.0000469", + "-0.0002945", + "-0.0013606", + "-0.0047134", + "-0.0124513", + "-0.0226223", + "-0.0234855", + "0.0100268", + "0.0624073", + "0.0849486", + "-0.0155358", + "-0.1585193", + "-0.1973957", + "0.0606027", + "0.4299524", + "0.4989843", + "0.2082460" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.3891641e+03", + "4.9299942e+02", + "2.1590624e+02", + "1.0549043e+02", + "5.4550999e+01", + "2.9218769e+01", + "1.5770739e+01", + "8.4956246e+00", + "4.4557719e+00", + "2.1938935e+00", + "1.0320090e+00", + "4.5372261e-01", + "1.7817927e-01" + ], + "coefficients": [ + [ + "0.0002854", + "0.0029133", + "0.0165957", + "0.0612591", + "0.1577830", + "0.2817448", + "0.3491177", + "0.2782887", + "0.1181314", + "0.0177469", + "0.0000862", + "0.0001718", + "-0.0000274" + ], + [ + "-0.0000917", + "-0.0009352", + "-0.0053614", + "-0.0198016", + "-0.0513195", + "-0.0885422", + "-0.0977094", + "-0.0310689", + "0.1556218", + "0.3564560", + "0.4022325", + "0.2739949", + "0.0917991" + ] + ] + } + ] + }, + "92": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.3218809e+08", + "4.9752731e+07", + "1.1318401e+07", + "3.2049471e+06", + "1.0458628e+06", + "3.7801475e+05", + "1.4778409e+05", + "6.1535580e+04", + "2.6986892e+04", + "1.2360522e+04", + "5.8749641e+03", + "2.8833176e+03", + "1.4542974e+03", + "7.4736997e+02", + "3.7309017e+02", + "2.0039420e+02", + "1.0809259e+02", + "5.5706216e+01", + "3.1321161e+01", + "1.6827454e+01", + "9.4170489e+00", + "5.1398980e+00", + "2.6586034e+00", + "1.3864645e+00", + "5.0392515e-01", + "2.3464452e-01", + "4.5919711e-02", + "1.9618002e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000371", + "0.0001570", + "0.0005719", + "0.0018644", + "0.0055498", + "0.0152389", + "0.0385587", + "0.0885256", + "0.1769589", + "0.2842933", + "0.3150096", + "0.1858994", + "0.0347537", + "-0.0014652", + "0.0011580", + "-0.0007822", + "0.0005207", + "-0.0003516", + "0.0002413", + "-0.0001311", + "0.0000621", + "-0.0000246", + "0.0000074", + "-0.0000029", + "0.0000007", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000125", + "-0.0000527", + "-0.0001921", + "-0.0006269", + "-0.0018751", + "-0.0051941", + "-0.0134334", + "-0.0321788", + "-0.0702754", + "-0.1328367", + "-0.1964523", + "-0.1491877", + "0.1799782", + "0.5448305", + "0.4050956", + "0.0726808", + "-0.0044424", + "0.0025513", + "-0.0016670", + "0.0007833", + "-0.0003363", + "0.0001386", + "-0.0000416", + "0.0000159", + "-0.0000038", + "0.0000017" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000254", + "0.0000926", + "0.0003020", + "0.0009048", + "0.0025077", + "0.0065146", + "0.0156918", + "0.0348119", + "0.0674843", + "0.1053809", + "0.0864724", + "-0.1308242", + "-0.5385191", + "-0.5136642", + "0.4424279", + "0.7903474", + "0.2344714", + "0.0042731", + "0.0035139", + "-0.0016484", + "0.0004102", + "-0.0001140", + "0.0000533", + "-0.0000116", + "0.0000053" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000031", + "-0.0000131", + "-0.0000480", + "-0.0001566", + "-0.0004688", + "-0.0013006", + "-0.0033795", + "-0.0081609", + "-0.0181514", + "-0.0354793", + "-0.0560242", + "-0.0473052", + "0.0757888", + "0.3340585", + "0.3631842", + "-0.4533900", + "-1.0962024", + "-0.0577846", + "1.0636051", + "0.4366955", + "0.0291030", + "0.0013389", + "-0.0001438", + "-0.0000592", + "0.0000016", + "-0.0000010" + ], + [ + "0.0000000", + "0.0000003", + "0.0000015", + "0.0000065", + "0.0000236", + "0.0000771", + "0.0002304", + "0.0006406", + "0.0016606", + "0.0040241", + "0.0089258", + "0.0175629", + "0.0276377", + "0.0238563", + "-0.0390214", + "-0.1709785", + "-0.1983538", + "0.2765456", + "0.6810911", + "0.0721466", + "-1.2645776", + "-0.6245661", + "1.0240644", + "0.6845591", + "0.0365689", + "-0.0043372", + "0.0009188", + "-0.0004000" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000099", + "-0.0000324", + "-0.0000970", + "-0.0002694", + "-0.0006997", + "-0.0016919", + "-0.0037639", + "-0.0073837", + "-0.0116877", + "-0.0099942", + "0.0163398", + "0.0732638", + "0.0843803", + "-0.1196418", + "-0.3093364", + "-0.0286330", + "0.6491179", + "0.3674343", + "-0.8279720", + "-0.7789470", + "0.8516988", + "0.6407267", + "0.0165056", + "-0.0048520" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000008", + "0.0000028", + "0.0000090", + "0.0000269", + "0.0000747", + "0.0001943", + "0.0004691", + "0.0010458", + "0.0020461", + "0.0032521", + "0.0027573", + "-0.0044958", + "-0.0204688", + "-0.0232931", + "0.0329770", + "0.0876365", + "0.0063544", + "-0.1832235", + "-0.1122075", + "0.2623260", + "0.2497063", + "-0.3408798", + "-0.4755593", + "0.7354103", + "0.4828449" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.6162988e+05", + "1.0920740e+05", + "3.5459016e+04", + "1.3582934e+04", + "5.7866645e+03", + "2.6574375e+03", + "1.2906531e+03", + "6.5432497e+02", + "3.4300786e+02", + "1.8437770e+02", + "1.0052979e+02", + "5.5803486e+01", + "3.1053473e+01", + "1.6909760e+01", + "9.3937710e+00", + "5.0911138e+00", + "2.7244797e+00", + "1.4234127e+00", + "6.4895243e-01", + "3.0352950e-01", + "1.2851923e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001265", + "0.0007419", + "0.0033890", + "0.0128338", + "0.0410636", + "0.1092076", + "0.2283669", + "0.3397479", + "0.3008180", + "0.1217345", + "0.0137714", + "0.0009500", + "-0.0005253", + "0.0002227", + "-0.0001533", + "0.0000960", + "-0.0000396", + "0.0000171", + "-0.0000071", + "0.0000018" + ], + [ + "-0.0000072", + "-0.0000650", + "-0.0003816", + "-0.0017515", + "-0.0067027", + "-0.0219020", + "-0.0605325", + "-0.1342996", + "-0.2142130", + "-0.1633395", + "0.1610051", + "0.5146439", + "0.3890549", + "0.0902331", + "0.0025805", + "0.0009907", + "-0.0005941", + "0.0001601", + "-0.0000741", + "0.0000311", + "-0.0000077" + ], + [ + "0.0000038", + "0.0000336", + "0.0001978", + "0.0009079", + "0.0034873", + "0.0114425", + "0.0319684", + "0.0719343", + "0.1173484", + "0.0839239", + "-0.1413362", + "-0.4564771", + "-0.2781560", + "0.4077547", + "0.6423318", + "0.2139528", + "0.0131523", + "0.0016838", + "-0.0004223", + "0.0001312", + "-0.0000338" + ], + [ + "-0.0000018", + "-0.0000160", + "-0.0000944", + "-0.0004334", + "-0.0016666", + "-0.0054734", + "-0.0153365", + "-0.0346307", + "-0.0568383", + "-0.0399159", + "0.0760997", + "0.2500603", + "0.1368275", + "-0.3229958", + "-0.6034746", + "0.0570024", + "0.7245388", + "0.4217777", + "0.0442567", + "-0.0011792", + "0.0003200" + ], + [ + "0.0000007", + "0.0000062", + "0.0000367", + "0.0001689", + "0.0006473", + "0.0021334", + "0.0059606", + "0.0135252", + "0.0220988", + "0.0156999", + "-0.0308039", + "-0.0993047", + "-0.0552765", + "0.1435257", + "0.2667702", + "-0.0543907", + "-0.4714498", + "-0.2672217", + "0.4803274", + "0.6273208", + "0.1504191" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.6743836e+04", + "5.0742161e+03", + "1.9882582e+03", + "8.9093565e+02", + "4.3435881e+02", + "2.2422539e+02", + "1.2029710e+02", + "6.6224236e+01", + "3.6932290e+01", + "2.0550556e+01", + "1.1428249e+01", + "6.3186102e+00", + "3.4246158e+00", + "1.8121750e+00", + "9.1430379e-01", + "4.0360201e-01", + "1.7055861e-01", + "6.6092794e-02" + ], + "coefficients": [ + [ + "0.0000645", + "0.0006570", + "0.0041222", + "0.0187507", + "0.0639455", + "0.1633559", + "0.2971661", + "0.3542097", + "0.2300139", + "0.0667918", + "0.0060433", + "0.0004770", + "-0.0001040", + "0.0000320", + "-0.0000207", + "0.0000064", + "-0.0000037", + "0.0000005" + ], + [ + "-0.0000356", + "-0.0003635", + "-0.0022929", + "-0.0105342", + "-0.0365159", + "-0.0955085", + "-0.1739516", + "-0.1846813", + "0.0198538", + "0.3502000", + "0.4666659", + "0.2352161", + "0.0399720", + "0.0014894", + "0.0000005", + "-0.0000383", + "-0.0000053", + "-0.0000029" + ], + [ + "0.0000157", + "0.0001610", + "0.0010163", + "0.0046817", + "0.0162843", + "0.0428362", + "0.0780388", + "0.0801374", + "-0.0317599", + "-0.2100333", + "-0.2756792", + "0.0218629", + "0.4412470", + "0.4790904", + "0.1873978", + "0.0188595", + "-0.0005854", + "0.0000319" + ], + [ + "-0.0000047", + "-0.0000478", + "-0.0003008", + "-0.0013904", + "-0.0048256", + "-0.0127412", + "-0.0231303", + "-0.0237773", + "0.0108271", + "0.0647203", + "0.0861022", + "-0.0205648", + "-0.1657561", + "-0.1936932", + "0.0761206", + "0.4368871", + "0.4907314", + "0.2006804" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.4233059e+03", + "5.0467405e+02", + "2.2081467e+02", + "1.0776652e+02", + "5.5699176e+01", + "2.9828062e+01", + "1.6101863e+01", + "8.6872753e+00", + "4.5778040e+00", + "2.2858769e+00", + "1.0946036e+00", + "4.9139071e-01", + "1.9771308e-01" + ], + "coefficients": [ + [ + "0.0002895", + "0.0029642", + "0.0169404", + "0.0626306", + "0.1609490", + "0.2857447", + "0.3507574", + "0.2731236", + "0.1116510", + "0.0162405", + "0.0002083", + "0.0001319", + "-0.0000140" + ], + [ + "-0.0000972", + "-0.0009921", + "-0.0057135", + "-0.0211176", + "-0.0546629", + "-0.0934566", + "-0.1017082", + "-0.0262540", + "0.1690244", + "0.3643124", + "0.3952164", + "0.2571287", + "0.0800169" + ] + ] + } + ] + }, + "93": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.3985414e+08", + "5.0858816e+07", + "1.1568591e+07", + "3.2755010e+06", + "1.0686381e+06", + "3.8618561e+05", + "1.5098162e+05", + "6.2872029e+04", + "2.7574066e+04", + "1.2630047e+04", + "6.0035814e+03", + "2.9465928e+03", + "1.4861834e+03", + "7.6372382e+02", + "3.8134301e+02", + "2.0479514e+02", + "1.1045576e+02", + "5.6899184e+01", + "3.1923221e+01", + "1.7070019e+01", + "9.6182978e+00", + "5.2480929e+00", + "2.7402411e+00", + "1.4298272e+00", + "5.2061302e-01", + "2.4123792e-01", + "4.6561469e-02", + "1.9833934e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000371", + "0.0001570", + "0.0005721", + "0.0018652", + "0.0055512", + "0.0152413", + "0.0385645", + "0.0885291", + "0.1769514", + "0.2843026", + "0.3150532", + "0.1858666", + "0.0347014", + "-0.0014460", + "0.0011406", + "-0.0007673", + "0.0005088", + "-0.0003480", + "0.0002428", + "-0.0001326", + "0.0000632", + "-0.0000247", + "0.0000073", + "-0.0000029", + "0.0000007", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000125", + "-0.0000527", + "-0.0001922", + "-0.0006275", + "-0.0018764", + "-0.0051976", + "-0.0134423", + "-0.0321974", + "-0.0703118", + "-0.1329230", + "-0.1966081", + "-0.1492454", + "0.1804398", + "0.5455028", + "0.4047076", + "0.0720766", + "-0.0044187", + "0.0025401", + "-0.0016866", + "0.0007991", + "-0.0003457", + "0.0001399", + "-0.0000415", + "0.0000156", + "-0.0000037", + "0.0000017" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000254", + "0.0000928", + "0.0003026", + "0.0009064", + "0.0025120", + "0.0065261", + "0.0157177", + "0.0348696", + "0.0676047", + "0.1056030", + "0.0866168", + "-0.1314033", + "-0.5405673", + "-0.5135341", + "0.4496783", + "0.7913690", + "0.2294669", + "0.0023367", + "0.0038927", + "-0.0018132", + "0.0004612", + "-0.0001257", + "0.0000570", + "-0.0000124", + "0.0000057" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000031", + "-0.0000132", + "-0.0000482", + "-0.0001573", + "-0.0004710", + "-0.0013065", + "-0.0033946", + "-0.0081972", + "-0.0182307", + "-0.0356448", + "-0.0562967", + "-0.0475403", + "0.0764101", + "0.3364652", + "0.3648496", + "-0.4646632", + "-1.1033000", + "-0.0385388", + "1.0715375", + "0.4246001", + "0.0271754", + "0.0015908", + "-0.0001930", + "-0.0000393", + "-0.0000026", + "0.0000009" + ], + [ + "0.0000000", + "0.0000003", + "0.0000015", + "0.0000065", + "0.0000238", + "0.0000779", + "0.0002328", + "0.0006472", + "0.0016780", + "0.0040655", + "0.0090191", + "0.0177470", + "0.0279461", + "0.0241043", + "-0.0395437", + "-0.1734400", + "-0.2004421", + "0.2850071", + "0.6930261", + "0.0578187", + "-1.3008363", + "-0.5960420", + "1.0429825", + "0.6709844", + "0.0353312", + "-0.0040838", + "0.0008705", + "-0.0003808" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000100", + "-0.0000327", + "-0.0000979", + "-0.0002716", + "-0.0007056", + "-0.0017057", + "-0.0037959", + "-0.0074449", + "-0.0117967", + "-0.0100725", + "0.0165136", + "0.0742141", + "0.0850647", + "-0.1230409", + "-0.3148730", + "-0.0211110", + "0.6686871", + "0.3512750", + "-0.8486781", + "-0.7574557", + "0.8537760", + "0.6359588", + "0.0160976", + "-0.0047769" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000008", + "0.0000027", + "0.0000089", + "0.0000268", + "0.0000743", + "0.0001933", + "0.0004664", + "0.0010402", + "0.0020348", + "0.0032375", + "0.0027408", + "-0.0044817", + "-0.0204497", + "-0.0231618", + "0.0334629", + "0.0879765", + "0.0041310", + "-0.1862308", + "-0.1060321", + "0.2648988", + "0.2387423", + "-0.3338308", + "-0.4696331", + "0.7348520", + "0.4797333" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.7265339e+05", + "1.1177704e+05", + "3.6284654e+04", + "1.3892099e+04", + "5.9151454e+03", + "2.7152268e+03", + "1.3186929e+03", + "6.6868020e+02", + "3.5056130e+02", + "1.8841600e+02", + "1.0271554e+02", + "5.7036007e+01", + "3.1734069e+01", + "1.7264641e+01", + "9.6072389e+00", + "5.2091159e+00", + "2.7919991e+00", + "1.4593014e+00", + "6.6580573e-01", + "3.1058236e-01", + "1.3141704e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001263", + "0.0007411", + "0.0033891", + "0.0128486", + "0.0411301", + "0.1093287", + "0.2285489", + "0.3399880", + "0.3007394", + "0.1212675", + "0.0135864", + "0.0009514", + "-0.0005329", + "0.0002297", + "-0.0001558", + "0.0000976", + "-0.0000403", + "0.0000172", + "-0.0000071", + "0.0000018" + ], + [ + "-0.0000072", + "-0.0000649", + "-0.0003817", + "-0.0017539", + "-0.0067196", + "-0.0219684", + "-0.0606917", + "-0.1346255", + "-0.2147339", + "-0.1632289", + "0.1629816", + "0.5159163", + "0.3877693", + "0.0888421", + "0.0022782", + "0.0010009", + "-0.0006075", + "0.0001660", + "-0.0000756", + "0.0000315", + "-0.0000078" + ], + [ + "0.0000038", + "0.0000337", + "0.0001985", + "0.0009121", + "0.0035073", + "0.0115141", + "0.0321585", + "0.0723513", + "0.1180449", + "0.0840651", + "-0.1436259", + "-0.4600429", + "-0.2758091", + "0.4170173", + "0.6408442", + "0.2080191", + "0.0122153", + "0.0016882", + "-0.0004201", + "0.0001317", + "-0.0000338" + ], + [ + "-0.0000018", + "-0.0000162", + "-0.0000954", + "-0.0004384", + "-0.0016874", + "-0.0055458", + "-0.0155313", + "-0.0350774", + "-0.0575595", + "-0.0402806", + "0.0780510", + "0.2539167", + "0.1365800", + "-0.3352878", + "-0.6095427", + "0.0794665", + "0.7312803", + "0.4075915", + "0.0412819", + "-0.0010035", + "0.0002815" + ], + [ + "0.0000007", + "0.0000063", + "0.0000369", + "0.0001702", + "0.0006530", + "0.0021542", + "0.0060146", + "0.0136533", + "0.0222985", + "0.0157955", + "-0.0315124", + "-0.1004994", + "-0.0550706", + "0.1489487", + "0.2687342", + "-0.0669861", + "-0.4770466", + "-0.2497771", + "0.4881172", + "0.6197796", + "0.1469944" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.7080889e+04", + "5.1803491e+03", + "2.0305928e+03", + "9.1017955e+02", + "4.4380601e+02", + "2.2909523e+02", + "1.2289919e+02", + "6.7664945e+01", + "3.7733590e+01", + "2.0984924e+01", + "1.1680359e+01", + "6.4621381e+00", + "3.5084361e+00", + "1.8590707e+00", + "9.3879807e-01", + "4.1472541e-01", + "1.7531284e-01", + "6.8017504e-02" + ], + "coefficients": [ + [ + "0.0000650", + "0.0006610", + "0.0041444", + "0.0188428", + "0.0642653", + "0.1641711", + "0.2982857", + "0.3542276", + "0.2287100", + "0.0656683", + "0.0057261", + "0.0004788", + "-0.0001269", + "0.0000362", + "-0.0000249", + "0.0000071", + "-0.0000042", + "0.0000006" + ], + [ + "-0.0000360", + "-0.0003674", + "-0.0023161", + "-0.0106363", + "-0.0368783", + "-0.0964645", + "-0.1754650", + "-0.1850500", + "0.0232925", + "0.3559359", + "0.4665634", + "0.2292546", + "0.0374937", + "0.0014587", + "-0.0000107", + "-0.0000200", + "-0.0000070", + "-0.0000005" + ], + [ + "0.0000161", + "0.0001643", + "0.0010367", + "0.0047726", + "0.0166106", + "0.0436882", + "0.0795215", + "0.0809187", + "-0.0342904", + "-0.2165230", + "-0.2782708", + "0.0349206", + "0.4526191", + "0.4714232", + "0.1780259", + "0.0174042", + "-0.0004399", + "0.0000423" + ], + [ + "-0.0000048", + "-0.0000488", + "-0.0003070", + "-0.0014178", + "-0.0049251", + "-0.0129992", + "-0.0235858", + "-0.0240040", + "0.0116325", + "0.0668871", + "0.0868535", + "-0.0253480", + "-0.1711205", + "-0.1897580", + "0.0876518", + "0.4415589", + "0.4848990", + "0.1949682" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.4473744e+03", + "5.1374949e+02", + "2.2508145e+02", + "1.0995774e+02", + "5.6859933e+01", + "3.0454012e+01", + "1.6453104e+01", + "8.8937367e+00", + "4.7019857e+00", + "2.3675028e+00", + "1.1453670e+00", + "5.2068843e-01", + "2.1276987e-01" + ], + "coefficients": [ + [ + "0.0002986", + "0.0030465", + "0.0173433", + "0.0639450", + "0.1639420", + "0.2893587", + "0.3517633", + "0.2683475", + "0.1060558", + "0.0148217", + "0.0002715", + "0.0001054", + "-0.0000045" + ], + [ + "-0.0001036", + "-0.0010527", + "-0.0060434", + "-0.0222677", + "-0.0575337", + "-0.0975326", + "-0.1045497", + "-0.0211938", + "0.1817598", + "0.3713741", + "0.3878755", + "0.2432801", + "0.0721704" + ] + ] + } + ] + }, + "94": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.4613624e+08", + "5.1821209e+07", + "1.1794991e+07", + "3.3419478e+06", + "1.0910602e+06", + "3.9451208e+05", + "1.5428272e+05", + "6.4241645e+04", + "2.8168975e+04", + "1.2901694e+04", + "6.1332555e+03", + "3.0107933e+03", + "1.5188643e+03", + "7.8061628e+02", + "3.8953393e+02", + "2.0921471e+02", + "1.1287642e+02", + "5.8165587e+01", + "3.2599320e+01", + "1.7395660e+01", + "9.8357934e+00", + "5.3672580e+00", + "2.7966753e+00", + "1.4476594e+00", + "5.1084151e-01", + "2.3285874e-01", + "4.2333336e-02", + "1.8241836e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000372", + "0.0001572", + "0.0005723", + "0.0018646", + "0.0055493", + "0.0152430", + "0.0385765", + "0.0885447", + "0.1769350", + "0.2842253", + "0.3150029", + "0.1859640", + "0.0347407", + "-0.0014990", + "0.0011678", + "-0.0007846", + "0.0005210", + "-0.0003576", + "0.0002495", + "-0.0001344", + "0.0000625", + "-0.0000236", + "0.0000068", + "-0.0000026", + "0.0000006", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000125", + "-0.0000528", + "-0.0001924", + "-0.0006275", + "-0.0018767", + "-0.0052007", + "-0.0134535", + "-0.0322201", + "-0.0703463", + "-0.1329616", + "-0.1966905", + "-0.1493444", + "0.1809879", + "0.5459984", + "0.4040993", + "0.0717076", + "-0.0044121", + "0.0025369", + "-0.0016887", + "0.0007919", + "-0.0003342", + "0.0001310", + "-0.0000375", + "0.0000141", + "-0.0000034", + "0.0000016" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000255", + "0.0000929", + "0.0003030", + "0.0009075", + "0.0025161", + "0.0065383", + "0.0157453", + "0.0349248", + "0.0676998", + "0.1057759", + "0.0867842", + "-0.1320885", + "-0.5424108", + "-0.5132002", + "0.4544073", + "0.7918709", + "0.2264979", + "0.0013591", + "0.0039604", + "-0.0018049", + "0.0004473", + "-0.0001178", + "0.0000531", + "-0.0000118", + "0.0000056" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000031", + "-0.0000133", + "-0.0000484", + "-0.0001579", + "-0.0004727", + "-0.0013120", + "-0.0034098", + "-0.0082328", + "-0.0183074", + "-0.0357886", + "-0.0565422", + "-0.0477620", + "0.0770413", + "0.3388106", + "0.3660328", + "-0.4725034", + "-1.1096872", + "-0.0251774", + "1.0790825", + "0.4149139", + "0.0257491", + "0.0015310", + "-0.0001529", + "-0.0000392", + "-0.0000009", + "0.0000002" + ], + [ + "0.0000000", + "0.0000003", + "0.0000016", + "0.0000066", + "0.0000240", + "0.0000784", + "0.0002345", + "0.0006521", + "0.0016913", + "0.0040970", + "0.0090879", + "0.0178794", + "0.0281657", + "0.0243007", + "-0.0400121", + "-0.1753574", + "-0.2019421", + "0.2911566", + "0.7016277", + "0.0487863", + "-1.3346377", + "-0.5565003", + "1.0632778", + "0.6454391", + "0.0320413", + "-0.0038759", + "0.0008376", + "-0.0003822" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000098", + "-0.0000321", + "-0.0000961", + "-0.0002668", + "-0.0006936", + "-0.0016760", + "-0.0037302", + "-0.0073125", + "-0.0115971", + "-0.0098948", + "0.0162767", + "0.0732149", + "0.0834903", + "-0.1224234", + "-0.3113650", + "-0.0155968", + "0.6693573", + "0.3176029", + "-0.8457283", + "-0.6909975", + "0.8370752", + "0.6198378", + "0.0142282", + "-0.0045006" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000026", + "0.0000083", + "0.0000250", + "0.0000693", + "0.0001805", + "0.0004352", + "0.0009716", + "0.0018976", + "0.0030262", + "0.0025519", + "-0.0041818", + "-0.0191967", + "-0.0215238", + "0.0314689", + "0.0828819", + "0.0018847", + "-0.1757212", + "-0.0922478", + "0.2501981", + "0.2013062", + "-0.2911473", + "-0.4597043", + "0.7548683", + "0.4479731" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.8216534e+05", + "1.1408771e+05", + "3.7048459e+04", + "1.4187266e+04", + "6.0415663e+03", + "2.7736404e+03", + "1.3470310e+03", + "6.8288852e+02", + "3.5789883e+02", + "1.9230186e+02", + "1.0481554e+02", + "5.8203898e+01", + "3.2367569e+01", + "1.7576966e+01", + "9.7880510e+00", + "5.2979558e+00", + "2.8354893e+00", + "1.4717858e+00", + "6.6121902e-01", + "3.0415094e-01", + "1.2839559e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001266", + "0.0007423", + "0.0033939", + "0.0128645", + "0.0411770", + "0.1094981", + "0.2289934", + "0.3404783", + "0.3004862", + "0.1204951", + "0.0133446", + "0.0009329", + "-0.0005272", + "0.0002269", + "-0.0001509", + "0.0000934", + "-0.0000377", + "0.0000159", + "-0.0000066", + "0.0000017" + ], + [ + "-0.0000073", + "-0.0000651", + "-0.0003828", + "-0.0017587", + "-0.0067369", + "-0.0220241", + "-0.0608747", + "-0.1351120", + "-0.2154095", + "-0.1628641", + "0.1658424", + "0.5177048", + "0.3858483", + "0.0868750", + "0.0018853", + "0.0010108", + "-0.0006131", + "0.0001660", + "-0.0000749", + "0.0000309", + "-0.0000080" + ], + [ + "0.0000038", + "0.0000339", + "0.0001996", + "0.0009173", + "0.0035271", + "0.0115782", + "0.0323565", + "0.0728434", + "0.1188117", + "0.0840142", + "-0.1465614", + "-0.4640918", + "-0.2719090", + "0.4292997", + "0.6390111", + "0.1995388", + "0.0108216", + "0.0017175", + "-0.0004028", + "0.0001385", + "-0.0000346" + ], + [ + "-0.0000018", + "-0.0000164", + "-0.0000963", + "-0.0004425", + "-0.0017025", + "-0.0055970", + "-0.0156800", + "-0.0354496", + "-0.0581289", + "-0.0404226", + "0.0801144", + "0.2571836", + "0.1349306", + "-0.3492796", + "-0.6125048", + "0.1107833", + "0.7353551", + "0.3900827", + "0.0377736", + "-0.0009210", + "0.0002711" + ], + [ + "0.0000007", + "0.0000061", + "0.0000360", + "0.0001660", + "0.0006364", + "0.0021003", + "0.0058654", + "0.0133300", + "0.0217511", + "0.0153183", + "-0.0312528", + "-0.0983070", + "-0.0526007", + "0.1500027", + "0.2604538", + "-0.0815634", + "-0.4605890", + "-0.2188002", + "0.4711869", + "0.6139293", + "0.1544472" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.5544772e+04", + "4.7121144e+03", + "1.8460783e+03", + "8.2617920e+02", + "4.0122766e+02", + "2.0594264e+02", + "1.0954656e+02", + "5.9809762e+01", + "3.2894748e+01", + "1.7898615e+01", + "9.8092525e+00", + "5.2735420e+00", + "2.7505830e+00", + "1.3735051e+00", + "6.1122323e-01" + ], + "coefficients": [ + [ + "0.0000844", + "0.0008563", + "0.0053270", + "0.0239085", + "0.0798000", + "0.1959216", + "0.3320444", + "0.3459963", + "0.1819401", + "0.0370618", + "0.0016962", + "0.0002316", + "-0.0001031", + "0.0000111", + "-0.0000080" + ], + [ + "-0.0000471", + "-0.0004779", + "-0.0029952", + "-0.0135768", + "-0.0462192", + "-0.1159820", + "-0.1948534", + "-0.1603772", + "0.1227043", + "0.4490931", + "0.4196041", + "0.1361527", + "0.0108158", + "0.0005043", + "-0.0000814" + ], + [ + "0.0000212", + "0.0002139", + "0.0013486", + "0.0061056", + "0.0209507", + "0.0526506", + "0.0887951", + "0.0661155", + "-0.0888664", + "-0.2756030", + "-0.2192056", + "0.2353788", + "0.5496384", + "0.3508297", + "0.0653465" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.4801604e+03", + "5.2497953e+02", + "2.2976171e+02", + "1.1201933e+02", + "5.7718517e+01", + "3.0735499e+01", + "1.6485418e+01", + "8.8424511e+00", + "4.6363587e+00", + "2.3249771e+00", + "1.1188585e+00", + "5.0546080e-01", + "2.0603795e-01" + ], + "coefficients": [ + [ + "0.0003036", + "0.0031060", + "0.0177418", + "0.0657333", + "0.1693038", + "0.2983022", + "0.3574299", + "0.2601306", + "0.0935666", + "0.0111798", + "0.0003014", + "0.0000469", + "0.0000117" + ], + [ + "-0.0001053", + "-0.0010721", + "-0.0061833", + "-0.0228755", + "-0.0594235", + "-0.1001328", + "-0.1046715", + "-0.0082086", + "0.2032541", + "0.3770728", + "0.3750313", + "0.2327993", + "0.0710478" + ] + ] + } + ] + }, + "95": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.5730055e+08", + "5.3521835e+07", + "1.2188395e+07", + "3.4544440e+06", + "1.1278678e+06", + "4.0779724e+05", + "1.5941885e+05", + "6.6326929e+04", + "2.9044783e+04", + "1.3278708e+04", + "6.2997905e+03", + "3.0867247e+03", + "1.5547303e+03", + "7.9814070e+02", + "3.9795288e+02", + "2.1365230e+02", + "1.1525716e+02", + "5.9426542e+01", + "3.3242723e+01", + "1.7670464e+01", + "1.0041398e+01", + "5.4716004e+00", + "2.8685741e+00", + "1.4848603e+00", + "5.2539879e-01", + "2.3845554e-01", + "4.3010442e-02", + "1.8483674e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000070", + "0.0000367", + "0.0001548", + "0.0005638", + "0.0018375", + "0.0054742", + "0.0150641", + "0.0382305", + "0.0880539", + "0.1765511", + "0.2844132", + "0.3157871", + "0.1864709", + "0.0347692", + "-0.0015098", + "0.0011682", + "-0.0007822", + "0.0005176", + "-0.0003583", + "0.0002526", + "-0.0001363", + "0.0000638", + "-0.0000239", + "0.0000068", + "-0.0000026", + "0.0000006", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000023", + "-0.0000123", + "-0.0000520", + "-0.0001896", + "-0.0006187", + "-0.0018521", + "-0.0051412", + "-0.0133348", + "-0.0320382", + "-0.0701683", + "-0.1329737", + "-0.1970984", + "-0.1498234", + "0.1814862", + "0.5468933", + "0.4033980", + "0.0710388", + "-0.0042734", + "0.0024601", + "-0.0016580", + "0.0007793", + "-0.0003304", + "0.0001282", + "-0.0000364", + "0.0000136", + "-0.0000033", + "0.0000016" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000251", + "0.0000917", + "0.0002990", + "0.0008965", + "0.0024898", + "0.0064869", + "0.0156713", + "0.0348682", + "0.0677690", + "0.1060995", + "0.0871713", + "-0.1327286", + "-0.5446268", + "-0.5129045", + "0.4605599", + "0.7927690", + "0.2225024", + "-0.0001756", + "0.0042227", + "-0.0019220", + "0.0004843", + "-0.0001261", + "0.0000557", + "-0.0000124", + "0.0000059" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000031", + "-0.0000131", + "-0.0000479", + "-0.0001562", + "-0.0004682", + "-0.0013017", + "-0.0033916", + "-0.0082154", + "-0.0183243", + "-0.0359195", + "-0.0568627", + "-0.0481157", + "0.0776760", + "0.3413397", + "0.3674707", + "-0.4822804", + "-1.1165268", + "-0.0071962", + "1.0864226", + "0.4031845", + "0.0237303", + "0.0017269", + "-0.0001940", + "-0.0000223", + "-0.0000045", + "0.0000019" + ], + [ + "0.0000000", + "0.0000003", + "0.0000016", + "0.0000066", + "0.0000239", + "0.0000780", + "0.0002334", + "0.0006502", + "0.0016908", + "0.0041082", + "0.0091428", + "0.0180309", + "0.0284760", + "0.0245874", + "-0.0405107", + "-0.1777522", + "-0.2037522", + "0.2985893", + "0.7128473", + "0.0341266", + "-1.3688913", + "-0.5220360", + "1.0803858", + "0.6281082", + "0.0304904", + "-0.0035719", + "0.0007789", + "-0.0003559" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000006", + "-0.0000027", + "-0.0000097", + "-0.0000318", + "-0.0000954", + "-0.0002651", + "-0.0006910", + "-0.0016747", + "-0.0037401", + "-0.0073485", + "-0.0116864", + "-0.0099736", + "0.0164141", + "0.0740003", + "0.0839190", + "-0.1251020", + "-0.3159214", + "-0.0080250", + "0.6861701", + "0.2968847", + "-0.8618006", + "-0.6673887", + "0.8382993", + "0.6152533", + "0.0139957", + "-0.0044404" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000025", + "0.0000082", + "0.0000246", + "0.0000682", + "0.0001781", + "0.0004305", + "0.0009643", + "0.0018879", + "0.0030186", + "0.0025470", + "-0.0041761", + "-0.0192049", + "-0.0214217", + "0.0318557", + "0.0832200", + "-0.0001198", + "-0.1784423", + "-0.0856128", + "0.2519125", + "0.1921117", + "-0.2868289", + "-0.4549108", + "0.7528087", + "0.4476992" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.9337550e+05", + "1.1672465e+05", + "3.7902457e+04", + "1.4508998e+04", + "6.1740301e+03", + "2.8323042e+03", + "1.3751982e+03", + "6.9736494e+02", + "3.6560724e+02", + "1.9643787e+02", + "1.0699894e+02", + "5.9413905e+01", + "3.3029566e+01", + "1.7926896e+01", + "1.0001270e+01", + "5.4168168e+00", + "2.9011719e+00", + "1.5059783e+00", + "6.7707616e-01", + "3.1073778e-01", + "1.3102337e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001263", + "0.0007410", + "0.0033919", + "0.0128794", + "0.0412669", + "0.1096770", + "0.2291538", + "0.3405824", + "0.3004969", + "0.1200955", + "0.0130661", + "0.0009684", + "-0.0005589", + "0.0002500", + "-0.0001628", + "0.0000999", + "-0.0000407", + "0.0000170", + "-0.0000070", + "0.0000018" + ], + [ + "-0.0000073", + "-0.0000651", + "-0.0003826", + "-0.0017599", + "-0.0067536", + "-0.0221019", + "-0.0610647", + "-0.1354199", + "-0.2158376", + "-0.1627783", + "0.1681558", + "0.5193761", + "0.3840157", + "0.0852343", + "0.0016388", + "0.0010002", + "-0.0006137", + "0.0001666", + "-0.0000745", + "0.0000306", + "-0.0000080" + ], + [ + "0.0000038", + "0.0000340", + "0.0002002", + "0.0009206", + "0.0035465", + "0.0116543", + "0.0325591", + "0.0732409", + "0.1194423", + "0.0841484", + "-0.1491484", + "-0.4679513", + "-0.2686398", + "0.4391105", + "0.6363487", + "0.1938627", + "0.0100994", + "0.0017061", + "-0.0003966", + "0.0001371", + "-0.0000342" + ], + [ + "-0.0000018", + "-0.0000165", + "-0.0000971", + "-0.0004467", + "-0.0017214", + "-0.0056666", + "-0.0158664", + "-0.0358556", + "-0.0587633", + "-0.0407467", + "0.0821915", + "0.2609522", + "0.1339601", + "-0.3622224", + "-0.6157761", + "0.1333987", + "0.7387290", + "0.3773655", + "0.0353950", + "-0.0007831", + "0.0002364" + ], + [ + "0.0000007", + "0.0000062", + "0.0000361", + "0.0001667", + "0.0006401", + "0.0021154", + "0.0059039", + "0.0134134", + "0.0218726", + "0.0153650", + "-0.0319146", + "-0.0992495", + "-0.0520084", + "0.1551547", + "0.2605382", + "-0.0936181", + "-0.4618092", + "-0.2041071", + "0.4752907", + "0.6084473", + "0.1525072" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.5766854e+04", + "4.7796531e+03", + "1.8729433e+03", + "8.3858532e+02", + "4.0753747e+02", + "2.0934883e+02", + "1.1144022e+02", + "6.0894141e+01", + "3.3518754e+01", + "1.8259786e+01", + "1.0031086e+01", + "5.4061803e+00", + "2.8252832e+00", + "1.4127020e+00", + "6.2891031e-01" + ], + "coefficients": [ + [ + "0.0000861", + "0.0008729", + "0.0054245", + "0.0242898", + "0.0808183", + "0.1976677", + "0.3333835", + "0.3446598", + "0.1794780", + "0.0360249", + "0.0015991", + "0.0002093", + "-0.0001046", + "0.0000075", + "-0.0000081" + ], + [ + "-0.0000482", + "-0.0004893", + "-0.0030637", + "-0.0138561", + "-0.0470349", + "-0.1175726", + "-0.1964533", + "-0.1588847", + "0.1281919", + "0.4533004", + "0.4151891", + "0.1317757", + "0.0102551", + "0.0005178", + "-0.0000696" + ], + [ + "0.0000219", + "0.0002207", + "0.0013909", + "0.0062822", + "0.0215019", + "0.0538160", + "0.0902881", + "0.0656007", + "-0.0930402", + "-0.2818282", + "-0.2154260", + "0.2486381", + "0.5504604", + "0.3420090", + "0.0621753" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.5382684e+03", + "5.4527297e+02", + "2.3831369e+02", + "1.1598483e+02", + "5.9675852e+01", + "3.1756158e+01", + "1.7040156e+01", + "9.1584956e+00", + "4.8197170e+00", + "2.4328228e+00", + "1.1796572e+00", + "5.3730452e-01", + "2.2109368e-01" + ], + "coefficients": [ + [ + "0.0002953", + "0.0030406", + "0.0175176", + "0.0655186", + "0.1697276", + "0.2997178", + "0.3583720", + "0.2582532", + "0.0914415", + "0.0107872", + "0.0002726", + "0.0000099", + "0.0000036" + ], + [ + "-0.0001051", + "-0.0010757", + "-0.0062610", + "-0.0233789", + "-0.0611064", + "-0.1031339", + "-0.1072088", + "-0.0055883", + "0.2105246", + "0.3801140", + "0.3701711", + "0.2249057", + "0.0667192" + ] + ] + } + ] + }, + "96": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.6240429e+08", + "5.4189350e+07", + "1.2321424e+07", + "3.4874407e+06", + "1.1378617e+06", + "4.1134823e+05", + "1.6087614e+05", + "6.6997739e+04", + "2.9379660e+04", + "1.3455507e+04", + "6.3957287e+03", + "3.1390206e+03", + "1.5832173e+03", + "8.1361879e+02", + "4.0602038e+02", + "2.1809619e+02", + "1.1775606e+02", + "6.0855522e+01", + "3.4050232e+01", + "1.8122800e+01", + "1.0336448e+01", + "5.6348627e+00", + "2.9775081e+00", + "1.5520961e+00", + "5.6812830e-01", + "2.6032765e-01", + "4.9156786e-02", + "2.0759830e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000372", + "0.0001572", + "0.0005726", + "0.0018656", + "0.0055508", + "0.0152441", + "0.0385826", + "0.0885765", + "0.1770395", + "0.2844297", + "0.3150789", + "0.1856915", + "0.0345624", + "-0.0015025", + "0.0011631", + "-0.0007805", + "0.0005175", + "-0.0003614", + "0.0002567", + "-0.0001401", + "0.0000671", + "-0.0000256", + "0.0000075", + "-0.0000028", + "0.0000007", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000125", + "-0.0000528", + "-0.0001927", + "-0.0006285", + "-0.0018791", + "-0.0052060", + "-0.0134688", + "-0.0322639", + "-0.0704673", + "-0.1332317", + "-0.1970715", + "-0.1492077", + "0.1825340", + "0.5469695", + "0.4025115", + "0.0708636", + "-0.0041287", + "0.0024053", + "-0.0016358", + "0.0007761", + "-0.0003359", + "0.0001328", + "-0.0000387", + "0.0000142", + "-0.0000034", + "0.0000015" + ], + [ + "0.0000001", + "0.0000011", + "0.0000060", + "0.0000256", + "0.0000933", + "0.0003041", + "0.0009105", + "0.0025238", + "0.0065591", + "0.0157998", + "0.0350586", + "0.0679924", + "0.1062378", + "0.0869621", + "-0.1338469", + "-0.5459718", + "-0.5127264", + "0.4612638", + "0.7931418", + "0.2229406", + "-0.0003343", + "0.0042883", + "-0.0019914", + "0.0005150", + "-0.0001361", + "0.0000592", + "-0.0000128", + "0.0000059" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000032", + "-0.0000134", + "-0.0000488", + "-0.0001593", + "-0.0004767", + "-0.0013229", + "-0.0034383", + "-0.0083046", + "-0.0184734", + "-0.0361364", + "-0.0570952", + "-0.0481434", + "0.0785844", + "0.3433908", + "0.3688362", + "-0.4855547", + "-1.1217006", + "-0.0079586", + "1.0906530", + "0.4038059", + "0.0233412", + "0.0019557", + "-0.0002673", + "-0.0000059", + "-0.0000091", + "0.0000039" + ], + [ + "0.0000000", + "0.0000003", + "0.0000016", + "0.0000067", + "0.0000245", + "0.0000800", + "0.0002393", + "0.0006651", + "0.0017255", + "0.0041800", + "0.0092797", + "0.0182581", + "0.0287920", + "0.0247534", + "-0.0412240", + "-0.1802196", + "-0.2058748", + "0.3026330", + "0.7237057", + "0.0339835", + "-1.3912763", + "-0.5233579", + "1.0895777", + "0.6289260", + "0.0312337", + "-0.0033106", + "0.0007230", + "-0.0003174" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000102", + "-0.0000333", + "-0.0000997", + "-0.0002766", + "-0.0007192", + "-0.0017377", + "-0.0038714", + "-0.0075889", + "-0.0120509", + "-0.0102411", + "0.0170408", + "0.0765389", + "0.0865282", + "-0.1294647", + "-0.3277039", + "-0.0079307", + "0.7147234", + "0.3047427", + "-0.8934120", + "-0.6952371", + "0.8560957", + "0.6237955", + "0.0155094", + "-0.0046433" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000027", + "0.0000089", + "0.0000265", + "0.0000736", + "0.0001915", + "0.0004621", + "0.0010314", + "0.0020170", + "0.0032149", + "0.0027113", + "-0.0045015", + "-0.0204965", + "-0.0229259", + "0.0342928", + "0.0889328", + "0.0005290", + "-0.1939866", + "-0.0893046", + "0.2691736", + "0.2126343", + "-0.3195149", + "-0.4569320", + "0.7284458", + "0.4794239" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.9963110e+05", + "1.1829411e+05", + "3.8461355e+04", + "1.4750380e+04", + "6.2897704e+03", + "2.8904290e+03", + "1.4047939e+03", + "7.1251988e+02", + "3.7347685e+02", + "2.0062260e+02", + "1.0927943e+02", + "6.0730648e+01", + "3.3788562e+01", + "1.8355621e+01", + "1.0272587e+01", + "5.5819523e+00", + "2.9985996e+00", + "1.5668620e+00", + "7.1740075e-01", + "3.3285495e-01", + "1.4040611e-01" + ], + "coefficients": [ + [ + "0.0000143", + "0.0001280", + "0.0007487", + "0.0034130", + "0.0129103", + "0.0412721", + "0.1096590", + "0.2293021", + "0.3409065", + "0.3004274", + "0.1196772", + "0.0129273", + "0.0009784", + "-0.0005709", + "0.0002606", + "-0.0001691", + "0.0001047", + "-0.0000438", + "0.0000184", + "-0.0000075", + "0.0000019" + ], + [ + "-0.0000074", + "-0.0000660", + "-0.0003871", + "-0.0017731", + "-0.0067788", + "-0.0221344", + "-0.0611402", + "-0.1357073", + "-0.2163916", + "-0.1626802", + "0.1697357", + "0.5197349", + "0.3829751", + "0.0846917", + "0.0014948", + "0.0010193", + "-0.0006350", + "0.0001793", + "-0.0000793", + "0.0000325", + "-0.0000081" + ], + [ + "0.0000039", + "0.0000346", + "0.0002031", + "0.0009303", + "0.0035706", + "0.0117070", + "0.0327005", + "0.0736296", + "0.1201397", + "0.0842935", + "-0.1511644", + "-0.4705437", + "-0.2674839", + "0.4436625", + "0.6343267", + "0.1923828", + "0.0101029", + "0.0016707", + "-0.0004059", + "0.0001308", + "-0.0000333" + ], + [ + "-0.0000019", + "-0.0000169", + "-0.0000992", + "-0.0004550", + "-0.0017467", + "-0.0057379", + "-0.0160607", + "-0.0363395", + "-0.0595734", + "-0.0411587", + "0.0841422", + "0.2647129", + "0.1345556", + "-0.3716082", + "-0.6211704", + "0.1432229", + "0.7430674", + "0.3708350", + "0.0342369", + "-0.0005622", + "0.0001801" + ], + [ + "0.0000007", + "0.0000065", + "0.0000379", + "0.0001743", + "0.0006668", + "0.0021992", + "0.0061357", + "0.0139580", + "0.0227673", + "0.0159355", + "-0.0335732", + "-0.1034493", + "-0.0536934", + "0.1641384", + "0.2705722", + "-0.1026520", + "-0.4830163", + "-0.2055610", + "0.4998413", + "0.6033958", + "0.1416625" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.8141759e+04", + "5.5031803e+03", + "2.1594814e+03", + "9.6906805e+02", + "4.7289443e+02", + "2.4421131e+02", + "1.3101181e+02", + "7.2135542e+01", + "4.0200771e+01", + "2.2333323e+01", + "1.2468744e+01", + "6.9089990e+00", + "3.7516867e+00", + "1.9840727e+00", + "9.9690477e-01", + "4.3400608e-01", + "1.8020969e-01", + "6.8738940e-02" + ], + "coefficients": [ + [ + "0.0000663", + "0.0006734", + "0.0042106", + "0.0191057", + "0.0651175", + "0.1662439", + "0.3012709", + "0.3545469", + "0.2251296", + "0.0624584", + "0.0049474", + "0.0004442", + "-0.0001674", + "0.0000341", + "-0.0000299", + "0.0000074", + "-0.0000043", + "0.0000007" + ], + [ + "-0.0000372", + "-0.0003792", + "-0.0023843", + "-0.0109291", + "-0.0378848", + "-0.0990542", + "-0.1796959", + "-0.1861484", + "0.0331584", + "0.3719671", + "0.4649694", + "0.2130682", + "0.0312723", + "0.0012983", + "-0.0000020", + "0.0000067", + "-0.0000091", + "0.0000021" + ], + [ + "0.0000171", + "0.0001736", + "0.0010940", + "0.0050232", + "0.0174960", + "0.0459705", + "0.0835466", + "0.0829151", + "-0.0417089", + "-0.2347674", + "-0.2832526", + "0.0745245", + "0.4835881", + "0.4486810", + "0.1512191", + "0.0127706", + "-0.0001954", + "0.0000454" + ], + [ + "-0.0000048", + "-0.0000489", + "-0.0003069", + "-0.0014137", + "-0.0049152", + "-0.0129591", + "-0.0234805", + "-0.0232773", + "0.0132843", + "0.0689605", + "0.0835760", + "-0.0382806", + "-0.1742793", + "-0.1659499", + "0.1122034", + "0.4384530", + "0.4759564", + "0.1984337" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.5593675e+03", + "5.5294463e+02", + "2.4188904e+02", + "1.1790610e+02", + "6.0820544e+01", + "3.2480495e+01", + "1.7522176e+01", + "9.4886389e+00", + "5.0468125e+00", + "2.5857221e+00", + "1.2780887e+00", + "5.9594752e-01", + "2.5105415e-01" + ], + "coefficients": [ + [ + "0.0003063", + "0.0031457", + "0.0180423", + "0.0670023", + "0.1720369", + "0.3006746", + "0.3560782", + "0.2541451", + "0.0901909", + "0.0110143", + "0.0002858", + "0.0000146", + "0.0000012" + ], + [ + "-0.0001142", + "-0.0011671", + "-0.0067607", + "-0.0250772", + "-0.0649440", + "-0.1083213", + "-0.1108838", + "-0.0028948", + "0.2185165", + "0.3858268", + "0.3648136", + "0.2090229", + "0.0554132" + ] + ] + } + ] + }, + "97": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.6822377e+08", + "5.5116885e+07", + "1.2540458e+07", + "3.5525911e+06", + "1.1599582e+06", + "4.1943217e+05", + "1.6405039e+05", + "6.8328454e+04", + "2.9971682e+04", + "1.3730710e+04", + "6.5276140e+03", + "3.2039712e+03", + "1.6161101e+03", + "8.3063416e+02", + "4.1456401e+02", + "2.2265865e+02", + "1.2021097e+02", + "6.2009776e+01", + "3.4630598e+01", + "1.8328425e+01", + "1.0524215e+01", + "5.7306077e+00", + "3.0424973e+00", + "1.5871643e+00", + "5.8427070e-01", + "2.6706010e-01", + "5.0408926e-02", + "2.1215904e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000373", + "0.0001575", + "0.0005735", + "0.0018685", + "0.0055589", + "0.0152609", + "0.0386044", + "0.0886011", + "0.1770811", + "0.2844677", + "0.3150322", + "0.1856060", + "0.0345269", + "-0.0015021", + "0.0011562", + "-0.0007731", + "0.0005122", + "-0.0003622", + "0.0002611", + "-0.0001426", + "0.0000688", + "-0.0000261", + "0.0000076", + "-0.0000029", + "0.0000007", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000125", + "-0.0000530", + "-0.0001931", + "-0.0006297", + "-0.0018826", + "-0.0052143", + "-0.0134830", + "-0.0322903", + "-0.0705238", + "-0.1333413", + "-0.1971818", + "-0.1492126", + "0.1830468", + "0.5475824", + "0.4021752", + "0.0703335", + "-0.0043032", + "0.0025026", + "-0.0017240", + "0.0008261", + "-0.0003622", + "0.0001418", + "-0.0000413", + "0.0000150", + "-0.0000035", + "0.0000016" + ], + [ + "0.0000001", + "0.0000012", + "0.0000061", + "0.0000256", + "0.0000935", + "0.0003050", + "0.0009131", + "0.0025303", + "0.0065728", + "0.0158279", + "0.0351251", + "0.0681174", + "0.1064365", + "0.0870492", + "-0.1344088", + "-0.5480734", + "-0.5120306", + "0.4697295", + "0.7932706", + "0.2173187", + "-0.0024381", + "0.0046818", + "-0.0021627", + "0.0005749", + "-0.0001514", + "0.0000643", + "-0.0000140", + "0.0000064" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000032", + "-0.0000135", + "-0.0000491", + "-0.0001601", + "-0.0004793", + "-0.0013296", + "-0.0034539", + "-0.0083404", + "-0.0185534", + "-0.0362970", + "-0.0573431", + "-0.0483371", + "0.0791875", + "0.3457777", + "0.3699552", + "-0.4985975", + "-1.1275702", + "0.0173986", + "1.0954690", + "0.3901712", + "0.0212574", + "0.0020853", + "-0.0002973", + "0.0000063", + "-0.0000115", + "0.0000050" + ], + [ + "0.0000000", + "0.0000003", + "0.0000016", + "0.0000068", + "0.0000247", + "0.0000808", + "0.0002416", + "0.0006713", + "0.0017411", + "0.0042160", + "0.0093624", + "0.0184172", + "0.0290551", + "0.0249468", + "-0.0416846", + "-0.1825018", + "-0.2073392", + "0.3119603", + "0.7347003", + "0.0119369", + "-1.4239086", + "-0.4804327", + "1.1049526", + "0.6087166", + "0.0296416", + "-0.0030080", + "0.0006674", + "-0.0002921" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000103", + "-0.0000335", + "-0.0001004", + "-0.0002785", + "-0.0007240", + "-0.0017484", + "-0.0038970", + "-0.0076361", + "-0.0121348", + "-0.0102921", + "0.0171806", + "0.0773656", + "0.0869098", + "-0.1331582", + "-0.3326224", + "0.0034544", + "0.7318115", + "0.2786431", + "-0.9100707", + "-0.6701923", + "0.8584461", + "0.6193141", + "0.0154038", + "-0.0045877" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000027", + "0.0000089", + "0.0000266", + "0.0000737", + "0.0001918", + "0.0004625", + "0.0010328", + "0.0020192", + "0.0032198", + "0.0027118", + "-0.0045180", + "-0.0206021", + "-0.0229223", + "0.0351321", + "0.0897288", + "-0.0024546", + "-0.1978734", + "-0.0811782", + "0.2720743", + "0.2042785", + "-0.3180438", + "-0.4537844", + "0.7253239", + "0.4817407" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.0981019e+05", + "1.2071893e+05", + "3.9246230e+04", + "1.5053008e+04", + "6.4217262e+03", + "2.9528252e+03", + "1.4353937e+03", + "7.2782429e+02", + "3.8134778e+02", + "2.0481173e+02", + "1.1156929e+02", + "6.2022107e+01", + "3.4506681e+01", + "1.8727398e+01", + "1.0495015e+01", + "5.7038940e+00", + "3.0629508e+00", + "1.5992480e+00", + "7.3349955e-01", + "3.3989648e-01", + "1.4317487e-01" + ], + "coefficients": [ + [ + "0.0000143", + "0.0001282", + "0.0007500", + "0.0034174", + "0.0129119", + "0.0412486", + "0.1096729", + "0.2295760", + "0.3412872", + "0.3002780", + "0.1192177", + "0.0127904", + "0.0009694", + "-0.0005702", + "0.0002622", + "-0.0001683", + "0.0001041", + "-0.0000437", + "0.0000183", + "-0.0000074", + "0.0000019" + ], + [ + "-0.0000074", + "-0.0000662", + "-0.0003882", + "-0.0017776", + "-0.0067882", + "-0.0221502", + "-0.0612283", + "-0.1360699", + "-0.2169673", + "-0.1625310", + "0.1715633", + "0.5207376", + "0.3818335", + "0.0835295", + "0.0012054", + "0.0010447", + "-0.0006527", + "0.0001887", + "-0.0000827", + "0.0000337", + "-0.0000084" + ], + [ + "0.0000039", + "0.0000348", + "0.0002043", + "0.0009353", + "0.0035858", + "0.0117488", + "0.0328441", + "0.0740467", + "0.1208382", + "0.0843784", + "-0.1533192", + "-0.4737411", + "-0.2651554", + "0.4526539", + "0.6319400", + "0.1871633", + "0.0094483", + "0.0016493", + "-0.0003991", + "0.0001298", + "-0.0000329" + ], + [ + "-0.0000019", + "-0.0000171", + "-0.0001003", + "-0.0004598", + "-0.0017628", + "-0.0057880", + "-0.0162113", + "-0.0367378", + "-0.0602174", + "-0.0414297", + "0.0859526", + "0.2680279", + "0.1340209", + "-0.3840806", + "-0.6235502", + "0.1654622", + "0.7459510", + "0.3579975", + "0.0318752", + "-0.0003989", + "0.0001418" + ], + [ + "0.0000007", + "0.0000065", + "0.0000382", + "0.0001755", + "0.0006706", + "0.0022108", + "0.0061715", + "0.0140630", + "0.0229332", + "0.0159886", + "-0.0341953", + "-0.1044087", + "-0.0533442", + "0.1694692", + "0.2706525", + "-0.1150237", + "-0.4846979", + "-0.1907704", + "0.5053320", + "0.5973842", + "0.1387467" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.8507265e+04", + "5.6146983e+03", + "2.2037273e+03", + "9.8914357e+02", + "4.8265276e+02", + "2.4923363e+02", + "1.3373270e+02", + "7.3673802e+01", + "4.1073866e+01", + "2.2815853e+01", + "1.2745734e+01", + "7.0590583e+00", + "3.8273773e+00", + "2.0190096e+00", + "1.0099918e+00", + "4.3361051e-01", + "1.7737638e-01", + "6.6727353e-02" + ], + "coefficients": [ + [ + "0.0000666", + "0.0006771", + "0.0042307", + "0.0191958", + "0.0654568", + "0.1670258", + "0.3020968", + "0.3542703", + "0.2240489", + "0.0616518", + "0.0047265", + "0.0004370", + "-0.0001820", + "0.0000345", + "-0.0000314", + "0.0000076", + "-0.0000041", + "0.0000008" + ], + [ + "-0.0000376", + "-0.0003828", + "-0.0024056", + "-0.0110265", + "-0.0382473", + "-0.0999582", + "-0.1809694", + "-0.1862918", + "0.0359224", + "0.3767000", + "0.4647366", + "0.2082241", + "0.0293691", + "0.0012513", + "-0.0000022", + "0.0000121", + "-0.0000121", + "0.0000017" + ], + [ + "0.0000173", + "0.0001765", + "0.0011119", + "0.0051042", + "0.0177949", + "0.0467280", + "0.0847783", + "0.0834214", + "-0.0439000", + "-0.2404608", + "-0.2845549", + "0.0881037", + "0.4938266", + "0.4407662", + "0.1419331", + "0.0110911", + "-0.0001841", + "0.0000343" + ], + [ + "-0.0000046", + "-0.0000475", + "-0.0002985", + "-0.0013750", + "-0.0047838", + "-0.0126098", + "-0.0227992", + "-0.0224171", + "0.0133812", + "0.0676084", + "0.0804328", + "-0.0418715", + "-0.1693634", + "-0.1539181", + "0.1158272", + "0.4322132", + "0.4765845", + "0.2070282" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.5899595e+03", + "5.6427696e+02", + "2.4703096e+02", + "1.2046719e+02", + "6.2144841e+01", + "3.3166924e+01", + "1.7880099e+01", + "9.6791939e+00", + "5.1487713e+00", + "2.6395963e+00", + "1.3047086e+00", + "6.0861069e-01", + "2.5660003e-01" + ], + "coefficients": [ + [ + "0.0003122", + "0.0032007", + "0.0183296", + "0.0680244", + "0.1745512", + "0.3042317", + "0.3574560", + "0.2495213", + "0.0853129", + "0.0099320", + "0.0003475", + "0.0000533", + "0.0000151" + ], + [ + "-0.0001185", + "-0.0012087", + "-0.0069921", + "-0.0259199", + "-0.0670815", + "-0.1113584", + "-0.1122688", + "0.0043477", + "0.2311838", + "0.3891709", + "0.3568242", + "0.2003016", + "0.0522226" + ] + ] + } + ] + }, + "98": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.7587775e+08", + "5.6200595e+07", + "1.2787238e+07", + "3.6234398e+06", + "1.1832291e+06", + "4.2800694e+05", + "1.6742668e+05", + "6.9706740e+04", + "3.0565475e+04", + "1.4005760e+04", + "6.6613684e+03", + "3.2701528e+03", + "1.6491458e+03", + "8.4737661e+02", + "4.2289550e+02", + "2.2718621e+02", + "1.2272863e+02", + "6.3343739e+01", + "3.5364661e+01", + "1.8713934e+01", + "1.0776849e+01", + "5.8673198e+00", + "3.1111763e+00", + "1.6110782e+00", + "5.7171716e-01", + "2.5663949e-01", + "4.5005060e-02", + "1.9174797e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000373", + "0.0001577", + "0.0005738", + "0.0018685", + "0.0055611", + "0.0152812", + "0.0386512", + "0.0886217", + "0.1770441", + "0.2845260", + "0.3151750", + "0.1854702", + "0.0343917", + "-0.0014941", + "0.0011444", + "-0.0007629", + "0.0005038", + "-0.0003563", + "0.0002559", + "-0.0001375", + "0.0000647", + "-0.0000237", + "0.0000066", + "-0.0000025", + "0.0000006", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000126", + "-0.0000530", + "-0.0001933", + "-0.0006300", + "-0.0018843", + "-0.0052237", + "-0.0135064", + "-0.0323150", + "-0.0705503", + "-0.1334469", + "-0.1974366", + "-0.1491304", + "0.1840006", + "0.5478634", + "0.4014006", + "0.0700275", + "-0.0043016", + "0.0025015", + "-0.0017184", + "0.0008123", + "-0.0003472", + "0.0001312", + "-0.0000365", + "0.0000132", + "-0.0000032", + "0.0000015" + ], + [ + "0.0000001", + "0.0000012", + "0.0000061", + "0.0000257", + "0.0000937", + "0.0003054", + "0.0009148", + "0.0025372", + "0.0065905", + "0.0158555", + "0.0351738", + "0.0682423", + "0.1066998", + "0.0871157", + "-0.1353965", + "-0.5497504", + "-0.5113443", + "0.4733267", + "0.7930791", + "0.2154391", + "-0.0027947", + "0.0045994", + "-0.0020815", + "0.0005288", + "-0.0001331", + "0.0000567", + "-0.0000125", + "0.0000059" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000032", + "-0.0000135", + "-0.0000493", + "-0.0001607", + "-0.0004813", + "-0.0013363", + "-0.0034712", + "-0.0083743", + "-0.0186229", + "-0.0364498", + "-0.0576263", + "-0.0484971", + "0.0799939", + "0.3479746", + "0.3707636", + "-0.5051805", + "-1.1324557", + "0.0264143", + "1.1003241", + "0.3846444", + "0.0203204", + "0.0021217", + "-0.0002766", + "0.0000136", + "-0.0000120", + "0.0000055" + ], + [ + "0.0000000", + "0.0000003", + "0.0000016", + "0.0000068", + "0.0000249", + "0.0000813", + "0.0002432", + "0.0006762", + "0.0017539", + "0.0042424", + "0.0094191", + "0.0185351", + "0.0292698", + "0.0250806", + "-0.0421921", + "-0.1842258", + "-0.2083298", + "0.3169684", + "0.7420637", + "0.0038398", + "-1.4470973", + "-0.4493115", + "1.1119242", + "0.5944586", + "0.0275772", + "-0.0030222", + "0.0006691", + "-0.0003075" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000101", + "-0.0000329", + "-0.0000985", + "-0.0002733", + "-0.0007107", + "-0.0017141", + "-0.0038207", + "-0.0074865", + "-0.0119146", + "-0.0100739", + "0.0169252", + "0.0761443", + "0.0849886", + "-0.1316346", + "-0.3278581", + "0.0082117", + "0.7236830", + "0.2512646", + "-0.8902774", + "-0.6184517", + "0.8385749", + "0.6060969", + "0.0135268", + "-0.0043577" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000025", + "0.0000082", + "0.0000247", + "0.0000683", + "0.0001780", + "0.0004284", + "0.0009576", + "0.0018696", + "0.0029915", + "0.0025006", + "-0.0041867", + "-0.0192075", + "-0.0210883", + "0.0326051", + "0.0839325", + "-0.0043596", + "-0.1830097", + "-0.0710652", + "0.2518794", + "0.1722005", + "-0.2745091", + "-0.4417777", + "0.7495997", + "0.4438118" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.1625986e+05", + "1.2220014e+05", + "3.9730926e+04", + "1.5263484e+04", + "6.5282436e+03", + "3.0104399e+03", + "1.4662773e+03", + "7.4380372e+02", + "3.8944796e+02", + "2.0892739e+02", + "1.1365280e+02", + "6.3218592e+01", + "3.5208369e+01", + "1.9169036e+01", + "1.0779876e+01", + "5.8838407e+00", + "3.1537610e+00", + "1.6376963e+00", + "7.3644175e-01", + "3.3625595e-01", + "1.4149194e-01" + ], + "coefficients": [ + [ + "0.0000146", + "0.0001303", + "0.0007608", + "0.0034511", + "0.0129643", + "0.0412218", + "0.1094882", + "0.2296448", + "0.3419888", + "0.3005880", + "0.1185101", + "0.0123922", + "0.0010352", + "-0.0006164", + "0.0002922", + "-0.0001826", + "0.0001087", + "-0.0000445", + "0.0000182", + "-0.0000075", + "0.0000019" + ], + [ + "-0.0000075", + "-0.0000674", + "-0.0003943", + "-0.0017973", + "-0.0068250", + "-0.0221633", + "-0.0612089", + "-0.1362815", + "-0.2177799", + "-0.1623746", + "0.1747471", + "0.5216324", + "0.3791301", + "0.0823919", + "0.0013233", + "0.0009414", + "-0.0005909", + "0.0001545", + "-0.0000686", + "0.0000279", + "-0.0000073" + ], + [ + "0.0000040", + "0.0000355", + "0.0002080", + "0.0009483", + "0.0036150", + "0.0117884", + "0.0329229", + "0.0743764", + "0.1216326", + "0.0844522", + "-0.1567238", + "-0.4764512", + "-0.2623196", + "0.4563558", + "0.6299296", + "0.1861519", + "0.0099275", + "0.0015227", + "-0.0003132", + "0.0001092", + "-0.0000271" + ], + [ + "-0.0000020", + "-0.0000175", + "-0.0001024", + "-0.0004672", + "-0.0017810", + "-0.0058211", + "-0.0162864", + "-0.0369905", + "-0.0607521", + "-0.0415612", + "0.0881879", + "0.2703922", + "0.1327065", + "-0.3901638", + "-0.6249753", + "0.1739538", + "0.7440308", + "0.3572152", + "0.0317569", + "-0.0005669", + "0.0001936" + ], + [ + "0.0000007", + "0.0000064", + "0.0000376", + "0.0001721", + "0.0006537", + "0.0021452", + "0.0059818", + "0.0136610", + "0.0223230", + "0.0154730", + "-0.0338382", + "-0.1016086", + "-0.0509865", + "0.1660954", + "0.2612937", + "-0.1155056", + "-0.4612480", + "-0.1790312", + "0.4767190", + "0.5997613", + "0.1532098" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.6265236e+04", + "4.9363908e+03", + "1.9372452e+03", + "8.6886278e+02", + "4.2310938e+02", + "2.1800938e+02", + "1.1654375e+02", + "6.4037751e+01", + "3.5465228e+01", + "1.9444187e+01", + "1.0774063e+01", + "5.8582243e+00", + "3.0783888e+00", + "1.5448181e+00", + "6.8706144e-01" + ], + "coefficients": [ + [ + "0.0000933", + "0.0009421", + "0.0058201", + "0.0258439", + "0.0849895", + "0.2042049", + "0.3366716", + "0.3381582", + "0.1717043", + "0.0335442", + "0.0013533", + "0.0001721", + "-0.0001202", + "0.0000022", + "-0.0000096" + ], + [ + "-0.0000529", + "-0.0005346", + "-0.0033291", + "-0.0149363", + "-0.0501561", + "-0.1231284", + "-0.2005685", + "-0.1525415", + "0.1428699", + "0.4619534", + "0.4031348", + "0.1222025", + "0.0093439", + "0.0005361", + "-0.0000286" + ], + [ + "0.0000245", + "0.0002465", + "0.0015453", + "0.0069237", + "0.0234557", + "0.0576420", + "0.0942699", + "0.0629405", + "-0.1046391", + "-0.2974565", + "-0.2048307", + "0.2792642", + "0.5507780", + "0.3222929", + "0.0554042" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.6235471e+03", + "5.7581530e+02", + "2.5202116e+02", + "1.2291254e+02", + "6.3450724e+01", + "3.3887608e+01", + "1.8272124e+01", + "9.8826686e+00", + "5.2402635e+00", + "2.6674318e+00", + "1.3007599e+00", + "5.9490014e-01", + "2.4579805e-01" + ], + "coefficients": [ + [ + "0.0003172", + "0.0032582", + "0.0186639", + "0.0691624", + "0.1768111", + "0.3068899", + "0.3585926", + "0.2458507", + "0.0808680", + "0.0088525", + "0.0004123", + "0.0000982", + "0.0000337" + ], + [ + "-0.0001194", + "-0.0012204", + "-0.0070629", + "-0.0261465", + "-0.0674086", + "-0.1112559", + "-0.1109140", + "0.0108118", + "0.2387629", + "0.3869132", + "0.3517347", + "0.2048030", + "0.0591465" + ] + ] + } + ] + }, + "99": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.8128971e+08", + "5.7070576e+07", + "1.2993253e+07", + "3.6861292e+06", + "1.2053810e+06", + "4.3642979e+05", + "1.7077931e+05", + "7.1117223e+04", + "3.1190154e+04", + "1.4293525e+04", + "6.7982564e+03", + "3.3371698e+03", + "1.6828808e+03", + "8.6476187e+02", + "4.3172604e+02", + "2.3193648e+02", + "1.2533210e+02", + "6.4662377e+01", + "3.6061179e+01", + "1.9024143e+01", + "1.1004710e+01", + "5.9868351e+00", + "3.1818671e+00", + "1.6483728e+00", + "5.8553138e-01", + "2.6199657e-01", + "4.5734536e-02", + "1.9445467e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000375", + "0.0001581", + "0.0005744", + "0.0018694", + "0.0055635", + "0.0152832", + "0.0386491", + "0.0886190", + "0.1770631", + "0.2845783", + "0.3151877", + "0.1853966", + "0.0343577", + "-0.0014807", + "0.0011333", + "-0.0007532", + "0.0004962", + "-0.0003534", + "0.0002558", + "-0.0001371", + "0.0000646", + "-0.0000236", + "0.0000065", + "-0.0000024", + "0.0000006", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000126", + "-0.0000532", + "-0.0001936", + "-0.0006306", + "-0.0018859", + "-0.0052268", + "-0.0135117", + "-0.0323298", + "-0.0705921", + "-0.1335520", + "-0.1975653", + "-0.1491605", + "0.1843095", + "0.5481399", + "0.4011903", + "0.0698452", + "-0.0043909", + "0.0025638", + "-0.0017745", + "0.0008423", + "-0.0003623", + "0.0001359", + "-0.0000376", + "0.0000136", + "-0.0000032", + "0.0000015" + ], + [ + "0.0000001", + "0.0000012", + "0.0000061", + "0.0000258", + "0.0000940", + "0.0003060", + "0.0009165", + "0.0025411", + "0.0065994", + "0.0158778", + "0.0352298", + "0.0683657", + "0.1068930", + "0.0872357", + "-0.1358475", + "-0.5511916", + "-0.5112853", + "0.4777713", + "0.7937463", + "0.2124030", + "-0.0039778", + "0.0047723", + "-0.0021507", + "0.0005514", + "-0.0001376", + "0.0000579", + "-0.0000127", + "0.0000061" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000032", + "-0.0000136", + "-0.0000495", + "-0.0001614", + "-0.0004833", + "-0.0013415", + "-0.0034840", + "-0.0084059", + "-0.0186959", + "-0.0366040", + "-0.0578687", + "-0.0486953", + "0.0805029", + "0.3499363", + "0.3721054", + "-0.5131784", + "-1.1383751", + "0.0424691", + "1.1040794", + "0.3759851", + "0.0190172", + "0.0021880", + "-0.0002911", + "0.0000206", + "-0.0000133", + "0.0000062" + ], + [ + "0.0000000", + "0.0000003", + "0.0000016", + "0.0000069", + "0.0000251", + "0.0000820", + "0.0002451", + "0.0006814", + "0.0017671", + "0.0042742", + "0.0094931", + "0.0186819", + "0.0295134", + "0.0252664", + "-0.0425929", + "-0.1861631", + "-0.2098432", + "0.3231677", + "0.7521554", + "-0.0114898", + "-1.4727783", + "-0.4154882", + "1.1212242", + "0.5793593", + "0.0264194", + "-0.0028444", + "0.0006362", + "-0.0002927" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000101", + "-0.0000330", + "-0.0000989", + "-0.0002743", + "-0.0007134", + "-0.0017204", + "-0.0038367", + "-0.0075169", + "-0.0119716", + "-0.0101062", + "0.0170122", + "0.0766994", + "0.0852528", + "-0.1336841", + "-0.3317121", + "0.0162367", + "0.7349524", + "0.2303946", + "-0.8984863", + "-0.5980787", + "0.8393849", + "0.6014710", + "0.0133493", + "-0.0043057" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000025", + "0.0000082", + "0.0000246", + "0.0000680", + "0.0001773", + "0.0004265", + "0.0009538", + "0.0018621", + "0.0029814", + "0.0024886", + "-0.0041747", + "-0.0191897", + "-0.0209853", + "0.0328580", + "0.0842126", + "-0.0063686", + "-0.1843958", + "-0.0649468", + "0.2517571", + "0.1649901", + "-0.2715309", + "-0.4373944", + "0.7459167", + "0.4457564" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.2594348e+05", + "1.2445800e+05", + "4.0472941e+04", + "1.5548824e+04", + "6.6534384e+03", + "3.0707957e+03", + "1.4971063e+03", + "7.5980016e+02", + "3.9769357e+02", + "2.1314763e+02", + "1.1577332e+02", + "6.4374831e+01", + "3.5843895e+01", + "1.9520388e+01", + "1.0999117e+01", + "6.0138916e+00", + "3.2226804e+00", + "1.6733772e+00", + "7.5351659e-01", + "3.4357819e-01", + "1.4451181e-01" + ], + "coefficients": [ + [ + "0.0000146", + "0.0001308", + "0.0007638", + "0.0034637", + "0.0129929", + "0.0412371", + "0.1094009", + "0.2296409", + "0.3424964", + "0.3009573", + "0.1179275", + "0.0120096", + "0.0010786", + "-0.0006543", + "0.0003194", + "-0.0001966", + "0.0001157", + "-0.0000477", + "0.0000195", + "-0.0000079", + "0.0000021" + ], + [ + "-0.0000076", + "-0.0000677", + "-0.0003963", + "-0.0018060", + "-0.0068487", + "-0.0221989", + "-0.0612411", + "-0.1364572", + "-0.2184419", + "-0.1623680", + "0.1780580", + "0.5235914", + "0.3763069", + "0.0804359", + "0.0011624", + "0.0009022", + "-0.0005747", + "0.0001484", + "-0.0000659", + "0.0000267", + "-0.0000070" + ], + [ + "0.0000040", + "0.0000358", + "0.0002097", + "0.0009554", + "0.0036373", + "0.0118394", + "0.0330316", + "0.0746825", + "0.1223595", + "0.0845900", + "-0.1601732", + "-0.4804446", + "-0.2575375", + "0.4666242", + "0.6256219", + "0.1810747", + "0.0095584", + "0.0014605", + "-0.0002907", + "0.0001014", + "-0.0000251" + ], + [ + "-0.0000020", + "-0.0000177", + "-0.0001036", + "-0.0004728", + "-0.0017996", + "-0.0058723", + "-0.0164098", + "-0.0373124", + "-0.0613756", + "-0.0418298", + "0.0906963", + "0.2740023", + "0.1304767", + "-0.4036574", + "-0.6245977", + "0.1943807", + "0.7445913", + "0.3469897", + "0.0300821", + "-0.0004542", + "0.0001672" + ], + [ + "0.0000007", + "0.0000065", + "0.0000378", + "0.0001732", + "0.0006570", + "0.0021527", + "0.0059952", + "0.0137077", + "0.0224341", + "0.0154906", + "-0.0346223", + "-0.1024560", + "-0.0498905", + "0.1712742", + "0.2596077", + "-0.1259705", + "-0.4598120", + "-0.1678961", + "0.4779816", + "0.5959410", + "0.1528824" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.6692817e+04", + "5.0561367e+03", + "1.9801421e+03", + "8.8641795e+02", + "4.3117360e+02", + "2.2212646e+02", + "1.1882223e+02", + "6.5378797e+01", + "3.6279503e+01", + "1.9939284e+01", + "1.1082485e+01", + "6.0455862e+00", + "3.1824983e+00", + "1.5986830e+00", + "7.1076531e-01" + ], + "coefficients": [ + [ + "0.0000926", + "0.0009401", + "0.0058384", + "0.0260220", + "0.0856343", + "0.2053125", + "0.3371480", + "0.3368457", + "0.1705324", + "0.0333209", + "0.0013209", + "0.0001663", + "-0.0001274", + "0.0000010", + "-0.0000102" + ], + [ + "-0.0000527", + "-0.0005355", + "-0.0033525", + "-0.0150987", + "-0.0507452", + "-0.1243144", + "-0.2016054", + "-0.1516375", + "0.1448565", + "0.4628748", + "0.4011338", + "0.1211637", + "0.0093876", + "0.0005482", + "-0.0000155" + ], + [ + "0.0000246", + "0.0002485", + "0.0015659", + "0.0070436", + "0.0238832", + "0.0585763", + "0.0953609", + "0.0626804", + "-0.1068558", + "-0.3010650", + "-0.2036258", + "0.2840992", + "0.5505043", + "0.3197117", + "0.0546136" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.6589035e+03", + "5.8804827e+02", + "2.5723777e+02", + "1.2540441e+02", + "6.4754229e+01", + "3.4614966e+01", + "1.8702080e+01", + "1.0147105e+01", + "5.4048129e+00", + "2.7633608e+00", + "1.3525596e+00", + "6.2043716e-01", + "2.5691480e-01" + ], + "coefficients": [ + [ + "0.0003213", + "0.0033073", + "0.0189776", + "0.0703132", + "0.1791576", + "0.3090498", + "0.3580172", + "0.2417063", + "0.0782283", + "0.0085815", + "0.0004461", + "0.0001341", + "0.0000400" + ], + [ + "-0.0001229", + "-0.0012594", + "-0.0072985", + "-0.0270274", + "-0.0694159", + "-0.1137317", + "-0.1116104", + "0.0156729", + "0.2449690", + "0.3870647", + "0.3469863", + "0.2004908", + "0.0577206" + ] + ] + } + ] + }, + "100": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.8847695e+08", + "5.8194049e+07", + "1.3253565e+07", + "3.7591041e+06", + "1.2291765e+06", + "4.4510906e+05", + "1.7424471e+05", + "7.2567172e+04", + "3.1820649e+04", + "1.4582287e+04", + "6.9365912e+03", + "3.4053374e+03", + "1.7173302e+03", + "8.8251397e+02", + "4.4056074e+02", + "2.3662403e+02", + "1.2786290e+02", + "6.6000324e+01", + "3.6766119e+01", + "1.9346478e+01", + "1.1236559e+01", + "6.1096406e+00", + "3.2500092e+00", + "1.6842273e+00", + "5.9904015e-01", + "2.6720377e-01", + "4.6350204e-02", + "1.9649197e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000375", + "0.0001582", + "0.0005749", + "0.0018698", + "0.0055619", + "0.0152846", + "0.0386622", + "0.0886220", + "0.1770406", + "0.2845692", + "0.3151865", + "0.1854112", + "0.0343523", + "-0.0014903", + "0.0011363", + "-0.0007543", + "0.0004964", + "-0.0003559", + "0.0002591", + "-0.0001384", + "0.0000652", + "-0.0000238", + "0.0000065", + "-0.0000024", + "0.0000006", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000126", + "-0.0000533", + "-0.0001938", + "-0.0006310", + "-0.0018862", + "-0.0052296", + "-0.0135223", + "-0.0323465", + "-0.0706173", + "-0.1336194", + "-0.1976669", + "-0.1492415", + "0.1847672", + "0.5488702", + "0.4005703", + "0.0693348", + "-0.0043079", + "0.0025191", + "-0.0017565", + "0.0008319", + "-0.0003575", + "0.0001338", + "-0.0000369", + "0.0000132", + "-0.0000031", + "0.0000015" + ], + [ + "0.0000002", + "0.0000012", + "0.0000061", + "0.0000259", + "0.0000942", + "0.0003065", + "0.0009174", + "0.0025448", + "0.0066108", + "0.0159008", + "0.0352768", + "0.0684681", + "0.1070665", + "0.0873833", + "-0.1364292", + "-0.5531653", + "-0.5108801", + "0.4826112", + "0.7940496", + "0.2095709", + "-0.0050397", + "0.0049217", + "-0.0022100", + "0.0005731", + "-0.0001422", + "0.0000591", + "-0.0000130", + "0.0000062" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000032", + "-0.0000137", + "-0.0000498", + "-0.0001620", + "-0.0004849", + "-0.0013465", + "-0.0034978", + "-0.0084374", + "-0.0187633", + "-0.0367448", + "-0.0580981", + "-0.0489035", + "0.0810817", + "0.3522602", + "0.3732238", + "-0.5214238", + "-1.1439372", + "0.0583563", + "1.1069946", + "0.3678767", + "0.0178998", + "0.0022081", + "-0.0002968", + "0.0000243", + "-0.0000138", + "0.0000064" + ], + [ + "0.0000000", + "0.0000003", + "0.0000017", + "0.0000070", + "0.0000253", + "0.0000826", + "0.0002468", + "0.0006863", + "0.0017805", + "0.0043050", + "0.0095622", + "0.0188181", + "0.0297439", + "0.0254528", + "-0.0430241", + "-0.1882591", + "-0.2112142", + "0.3295051", + "0.7618334", + "-0.0271130", + "-1.4966608", + "-0.3810540", + "1.1295044", + "0.5636087", + "0.0252398", + "-0.0026628", + "0.0006014", + "-0.0002769" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000102", + "-0.0000331", + "-0.0000992", + "-0.0002752", + "-0.0007161", + "-0.0017259", + "-0.0038500", + "-0.0075416", + "-0.0120205", + "-0.0101370", + "0.0171085", + "0.0772999", + "0.0854414", + "-0.1357503", + "-0.3352929", + "0.0243935", + "0.7449707", + "0.2090432", + "-0.9056012", + "-0.5773695", + "0.8401696", + "0.5968206", + "0.0131563", + "-0.0042524" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000025", + "0.0000082", + "0.0000245", + "0.0000677", + "0.0001766", + "0.0004246", + "0.0009497", + "0.0018540", + "0.0029705", + "0.0024776", + "-0.0041678", + "-0.0191882", + "-0.0208768", + "0.0331316", + "0.0844334", + "-0.0083411", + "-0.1855765", + "-0.0587116", + "0.2512869", + "0.1580520", + "-0.2690616", + "-0.4327446", + "0.7453747", + "0.4445202" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.4908397e+05", + "1.2991366e+05", + "4.2205287e+04", + "1.6166727e+04", + "6.8806016e+03", + "3.1538376e+03", + "1.5289858e+03", + "7.7451129e+02", + "4.0610106e+02", + "2.1847914e+02", + "1.1929717e+02", + "6.6546762e+01", + "3.7146662e+01", + "2.0270012e+01", + "1.1438703e+01", + "6.2552852e+00", + "3.3479436e+00", + "1.7340391e+00", + "7.7330452e-01", + "3.5117589e-01", + "1.4730142e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001259", + "0.0007374", + "0.0033723", + "0.0128210", + "0.0412339", + "0.1099979", + "0.2300207", + "0.3409982", + "0.2996122", + "0.1191500", + "0.0129023", + "0.0009896", + "-0.0005760", + "0.0002657", + "-0.0001649", + "0.0000980", + "-0.0000392", + "0.0000159", + "-0.0000066", + "0.0000017" + ], + [ + "-0.0000073", + "-0.0000652", + "-0.0003830", + "-0.0017602", + "-0.0067640", + "-0.0222200", + "-0.0616462", + "-0.1369058", + "-0.2177526", + "-0.1625822", + "0.1715539", + "0.5191452", + "0.3826650", + "0.0844830", + "0.0013010", + "0.0009661", + "-0.0006045", + "0.0001570", + "-0.0000690", + "0.0000281", + "-0.0000074" + ], + [ + "0.0000039", + "0.0000345", + "0.0002031", + "0.0009336", + "0.0036013", + "0.0118821", + "0.0333369", + "0.0751436", + "0.1223099", + "0.0851005", + "-0.1555821", + "-0.4775434", + "-0.2700970", + "0.4541680", + "0.6341564", + "0.1875031", + "0.0100578", + "0.0015212", + "-0.0002968", + "0.0001072", + "-0.0000269" + ], + [ + "-0.0000019", + "-0.0000172", + "-0.0001008", + "-0.0004639", + "-0.0017891", + "-0.0059168", + "-0.0166307", + "-0.0376951", + "-0.0616169", + "-0.0422542", + "0.0885567", + "0.2737952", + "0.1391867", + "-0.3960556", + "-0.6369552", + "0.1850197", + "0.7483398", + "0.3510113", + "0.0301280", + "-0.0006117", + "0.0002004" + ], + [ + "0.0000007", + "0.0000063", + "0.0000366", + "0.0001691", + "0.0006496", + "0.0021572", + "0.0060428", + "0.0137744", + "0.0223957", + "0.0155758", + "-0.0336758", + "-0.1017987", + "-0.0530732", + "0.1675351", + "0.2634733", + "-0.1210819", + "-0.4591210", + "-0.1680694", + "0.4779809", + "0.5946540", + "0.1524670" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.7000416e+04", + "5.1540131e+03", + "2.0193541e+03", + "9.0423460e+02", + "4.3989932e+02", + "2.2658475e+02", + "1.2116616e+02", + "6.6673721e+01", + "3.7036322e+01", + "2.0418954e+01", + "1.1396804e+01", + "6.2475906e+00", + "3.2948047e+00", + "1.6562275e+00", + "7.3581555e-01" + ], + "coefficients": [ + [ + "0.0000933", + "0.0009451", + "0.0058653", + "0.0261316", + "0.0860037", + "0.2062669", + "0.3382299", + "0.3360766", + "0.1689420", + "0.0328260", + "0.0013303", + "0.0001390", + "-0.0001244", + "-0.0000041", + "-0.0000099" + ], + [ + "-0.0000533", + "-0.0005403", + "-0.0033808", + "-0.0152193", + "-0.0511697", + "-0.1253842", + "-0.2030261", + "-0.1506721", + "0.1477837", + "0.4633174", + "0.3982278", + "0.1204870", + "0.0096147", + "0.0005409", + "0.0000023" + ], + [ + "0.0000250", + "0.0002522", + "0.0015884", + "0.0071425", + "0.0242267", + "0.0594438", + "0.0965979", + "0.0623318", + "-0.1096637", + "-0.3040953", + "-0.2021946", + "0.2870779", + "0.5503617", + "0.3184999", + "0.0541873" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.6908794e+03", + "5.9983518e+02", + "2.6253505e+02", + "1.2797790e+02", + "6.6056944e+01", + "3.5301086e+01", + "1.9089978e+01", + "1.0379680e+01", + "5.5475770e+00", + "2.8463510e+00", + "1.3973013e+00", + "6.4245076e-01", + "2.6649555e-01" + ], + "coefficients": [ + [ + "0.0003269", + "0.0033589", + "0.0192618", + "0.0714100", + "0.1817860", + "0.3119777", + "0.3577847", + "0.2370076", + "0.0750566", + "0.0082080", + "0.0005209", + "0.0001884", + "0.0000531" + ], + [ + "-0.0001269", + "-0.0012989", + "-0.0075214", + "-0.0278822", + "-0.0715106", + "-0.1164163", + "-0.1121203", + "0.0216807", + "0.2522353", + "0.3873663", + "0.3416669", + "0.1953895", + "0.0557612" + ] + ] + } + ] + }, + "101": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.9631165e+08", + "5.9326968e+07", + "1.3511640e+07", + "3.8326048e+06", + "1.2533284e+06", + "4.5392366e+05", + "1.7772594e+05", + "7.4033739e+04", + "3.2462745e+04", + "1.4873399e+04", + "7.0746404e+03", + "3.4735981e+03", + "1.7521705e+03", + "9.0063984e+02", + "4.4951227e+02", + "2.4143230e+02", + "1.3045790e+02", + "6.7411810e+01", + "3.7500569e+01", + "1.9633623e+01", + "1.1470908e+01", + "6.2315961e+00", + "3.3171955e+00", + "1.7186540e+00", + "6.1265864e-01", + "2.7235272e-01", + "4.7004818e-02", + "1.9879120e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000071", + "0.0000376", + "0.0001583", + "0.0005751", + "0.0018703", + "0.0055615", + "0.0152809", + "0.0386697", + "0.0886614", + "0.1770722", + "0.2845195", + "0.3150878", + "0.1854476", + "0.0343978", + "-0.0015253", + "0.0011564", + "-0.0007668", + "0.0005036", + "-0.0003647", + "0.0002680", + "-0.0001424", + "0.0000671", + "-0.0000244", + "0.0000067", + "-0.0000025", + "0.0000006", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000127", + "-0.0000533", + "-0.0001940", + "-0.0006315", + "-0.0018869", + "-0.0052306", + "-0.0135309", + "-0.0323758", + "-0.0706676", + "-0.1336696", + "-0.1977150", + "-0.1493028", + "0.1850156", + "0.5494395", + "0.4001568", + "0.0688646", + "-0.0041132", + "0.0024113", + "-0.0017014", + "0.0007998", + "-0.0003423", + "0.0001280", + "-0.0000352", + "0.0000125", + "-0.0000030", + "0.0000014" + ], + [ + "0.0000002", + "0.0000012", + "0.0000062", + "0.0000259", + "0.0000943", + "0.0003069", + "0.0009186", + "0.0025476", + "0.0066211", + "0.0159299", + "0.0353359", + "0.0685612", + "0.1072087", + "0.0875153", + "-0.1368574", + "-0.5548301", + "-0.5109282", + "0.4861375", + "0.7956857", + "0.2073963", + "-0.0069620", + "0.0053856", + "-0.0024005", + "0.0006402", + "-0.0001592", + "0.0000648", + "-0.0000143", + "0.0000068" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000033", + "-0.0000137", + "-0.0000500", + "-0.0001627", + "-0.0004866", + "-0.0013510", + "-0.0035109", + "-0.0084718", + "-0.0188357", + "-0.0368804", + "-0.0583037", + "-0.0491082", + "0.0815874", + "0.3543011", + "0.3747407", + "-0.5283522", + "-1.1500195", + "0.0736606", + "1.1094154", + "0.3600551", + "0.0167106", + "0.0022601", + "-0.0003122", + "0.0000314", + "-0.0000152", + "0.0000071" + ], + [ + "0.0000000", + "0.0000003", + "0.0000017", + "0.0000070", + "0.0000255", + "0.0000831", + "0.0002485", + "0.0006908", + "0.0017932", + "0.0043364", + "0.0096318", + "0.0189475", + "0.0299561", + "0.0256313", + "-0.0434071", + "-0.1901662", + "-0.2127495", + "0.3349083", + "0.7717638", + "-0.0430052", + "-1.5186617", + "-0.3467699", + "1.1371553", + "0.5477801", + "0.0239994", + "-0.0024505", + "0.0005606", + "-0.0002582" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000102", + "-0.0000332", + "-0.0000995", + "-0.0002759", + "-0.0007182", + "-0.0017311", + "-0.0038620", + "-0.0075609", + "-0.0120572", + "-0.0101621", + "0.0171816", + "0.0777853", + "0.0856787", + "-0.1373925", + "-0.3387313", + "0.0325729", + "0.7536932", + "0.1874356", + "-0.9109638", + "-0.5575441", + "0.8401331", + "0.5931931", + "0.0129939", + "-0.0042021" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000025", + "0.0000081", + "0.0000243", + "0.0000674", + "0.0001758", + "0.0004229", + "0.0009460", + "0.0018457", + "0.0029583", + "0.0024665", + "-0.0041570", + "-0.0191699", + "-0.0207906", + "0.0333101", + "0.0846648", + "-0.0103194", + "-0.1864585", + "-0.0525953", + "0.2505482", + "0.1514981", + "-0.2663656", + "-0.4288334", + "0.7432276", + "0.4450716" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.5936483e+05", + "1.3239945e+05", + "4.3030360e+04", + "1.6489466e+04", + "7.0189489e+03", + "3.2171580e+03", + "1.5597112e+03", + "7.9012016e+02", + "4.1430663e+02", + "2.2289477e+02", + "1.2168878e+02", + "6.7891013e+01", + "3.7898922e+01", + "2.0677605e+01", + "1.1685271e+01", + "6.3927236e+00", + "3.4185051e+00", + "1.7686572e+00", + "7.9014081e-01", + "3.5826431e-01", + "1.5017893e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001261", + "0.0007383", + "0.0033748", + "0.0128320", + "0.0412758", + "0.1101017", + "0.2302172", + "0.3411717", + "0.2995107", + "0.1187921", + "0.0127328", + "0.0010019", + "-0.0005895", + "0.0002762", + "-0.0001694", + "0.0001000", + "-0.0000403", + "0.0000164", + "-0.0000067", + "0.0000018" + ], + [ + "-0.0000073", + "-0.0000654", + "-0.0003839", + "-0.0017635", + "-0.0067776", + "-0.0222693", + "-0.0617828", + "-0.1372140", + "-0.2181790", + "-0.1624648", + "0.1733168", + "0.5201834", + "0.3813867", + "0.0833639", + "0.0011147", + "0.0009622", + "-0.0006056", + "0.0001588", + "-0.0000695", + "0.0000282", + "-0.0000074" + ], + [ + "0.0000039", + "0.0000347", + "0.0002041", + "0.0009377", + "0.0036178", + "0.0119389", + "0.0334987", + "0.0755151", + "0.1228925", + "0.0851891", + "-0.1576971", + "-0.4805323", + "-0.2678723", + "0.4619722", + "0.6317247", + "0.1834262", + "0.0096032", + "0.0015057", + "-0.0002929", + "0.0001066", + "-0.0000268" + ], + [ + "-0.0000019", + "-0.0000173", + "-0.0001017", + "-0.0004677", + "-0.0018039", + "-0.0059681", + "-0.0167735", + "-0.0380320", + "-0.0621411", + "-0.0424764", + "0.0902631", + "0.2767094", + "0.1385363", + "-0.4072315", + "-0.6374623", + "0.2031402", + "0.7492784", + "0.3412869", + "0.0284471", + "-0.0004576", + "0.0001634" + ], + [ + "0.0000007", + "0.0000063", + "0.0000367", + "0.0001694", + "0.0006511", + "0.0021632", + "0.0060591", + "0.0138169", + "0.0224551", + "0.0155671", + "-0.0341322", + "-0.1023112", + "-0.0525434", + "0.1715389", + "0.2619800", + "-0.1301846", + "-0.4571391", + "-0.1579866", + "0.4785870", + "0.5913868", + "0.1524367" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.7341224e+04", + "5.2570548e+03", + "2.0604572e+03", + "9.2284902e+02", + "4.4886088e+02", + "2.3110995e+02", + "1.2355364e+02", + "6.7986660e+01", + "3.7771025e+01", + "2.0830936e+01", + "1.1633864e+01", + "6.3780451e+00", + "3.3645555e+00", + "1.6918265e+00", + "7.5152036e-01" + ], + "coefficients": [ + [ + "0.0000937", + "0.0009487", + "0.0058823", + "0.0262134", + "0.0863678", + "0.2071981", + "0.3392046", + "0.3355357", + "0.1675718", + "0.0321430", + "0.0012559", + "0.0001185", + "-0.0001257", + "-0.0000066", + "-0.0000099" + ], + [ + "-0.0000537", + "-0.0005443", + "-0.0034029", + "-0.0153236", + "-0.0515823", + "-0.1264447", + "-0.2043309", + "-0.1498994", + "0.1517999", + "0.4672161", + "0.3947533", + "0.1166966", + "0.0090681", + "0.0005653", + "0.0000061" + ], + [ + "0.0000253", + "0.0002555", + "0.0016077", + "0.0072307", + "0.0245606", + "0.0602818", + "0.0977732", + "0.0619897", + "-0.1130239", + "-0.3095842", + "-0.1969965", + "0.2993787", + "0.5495603", + "0.3102875", + "0.0515936" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.7232502e+03", + "6.1172971e+02", + "2.6786734e+02", + "1.3062603e+02", + "6.7424989e+01", + "3.6010035e+01", + "1.9470532e+01", + "1.0595862e+01", + "5.6771143e+00", + "2.9197524e+00", + "1.4361796e+00", + "6.6184206e-01", + "2.7545228e-01" + ], + "coefficients": [ + [ + "0.0003324", + "0.0034106", + "0.0195390", + "0.0723824", + "0.1841560", + "0.3151174", + "0.3581062", + "0.2322759", + "0.0716741", + "0.0078094", + "0.0006025", + "0.0002500", + "0.0000667" + ], + [ + "-0.0001309", + "-0.0013384", + "-0.0077401", + "-0.0286848", + "-0.0734885", + "-0.1191603", + "-0.1126122", + "0.0282803", + "0.2601306", + "0.3881152", + "0.3360423", + "0.1892935", + "0.0532017" + ] + ] + } + ] + }, + "102": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.0387979e+08", + "6.0490048e+07", + "1.3778360e+07", + "3.9087526e+06", + "1.2782679e+06", + "4.6286098e+05", + "1.8120624e+05", + "7.5503391e+04", + "3.3118449e+04", + "1.5172287e+04", + "7.2148735e+03", + "3.5428816e+03", + "1.7876475e+03", + "9.1891379e+02", + "4.5837957e+02", + "2.4621759e+02", + "1.3308069e+02", + "6.8818211e+01", + "3.8241177e+01", + "1.9984244e+01", + "1.1703235e+01", + "6.3456746e+00", + "3.3844942e+00", + "1.7530159e+00", + "6.2608043e-01", + "2.7748323e-01", + "4.7679730e-02", + "2.0130056e-02" + ], + "coefficients": [ + [ + "0.0000009", + "0.0000072", + "0.0000376", + "0.0001583", + "0.0005752", + "0.0018713", + "0.0055635", + "0.0152754", + "0.0386508", + "0.0886851", + "0.1771254", + "0.2844161", + "0.3150215", + "0.1855638", + "0.0344017", + "-0.0015516", + "0.0011657", + "-0.0007703", + "0.0005046", + "-0.0003665", + "0.0002700", + "-0.0001432", + "0.0000678", + "-0.0000246", + "0.0000067", + "-0.0000025", + "0.0000006", + "-0.0000003" + ], + [ + "-0.0000003", + "-0.0000024", + "-0.0000127", + "-0.0000534", + "-0.0001941", + "-0.0006321", + "-0.0018884", + "-0.0052308", + "-0.0135302", + "-0.0323980", + "-0.0707258", + "-0.1336859", + "-0.1977746", + "-0.1494025", + "0.1855368", + "0.5498651", + "0.3995763", + "0.0685160", + "-0.0040373", + "0.0023682", + "-0.0016778", + "0.0007887", + "-0.0003387", + "0.0001262", + "-0.0000347", + "0.0000123", + "-0.0000029", + "0.0000014" + ], + [ + "0.0000002", + "0.0000012", + "0.0000062", + "0.0000260", + "0.0000945", + "0.0003075", + "0.0009202", + "0.0025500", + "0.0066266", + "0.0159553", + "0.0353975", + "0.0686371", + "0.1073485", + "0.0876789", + "-0.1375262", + "-0.5563938", + "-0.5107059", + "0.4898747", + "0.7963212", + "0.2049049", + "-0.0075803", + "0.0053856", + "-0.0024031", + "0.0006413", + "-0.0001586", + "0.0000641", + "-0.0000141", + "0.0000067" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000033", + "-0.0000138", + "-0.0000501", + "-0.0001633", + "-0.0004884", + "-0.0013551", + "-0.0035213", + "-0.0085037", + "-0.0189091", + "-0.0370031", + "-0.0585090", + "-0.0493187", + "0.0822113", + "0.3563360", + "0.3758903", + "-0.5351798", + "-1.1559293", + "0.0891714", + "1.1124269", + "0.3516215", + "0.0152851", + "0.0023685", + "-0.0003383", + "0.0000422", + "-0.0000174", + "0.0000081" + ], + [ + "0.0000000", + "0.0000003", + "0.0000017", + "0.0000071", + "0.0000257", + "0.0000837", + "0.0002502", + "0.0006950", + "0.0018041", + "0.0043656", + "0.0097002", + "0.0190660", + "0.0301631", + "0.0258049", + "-0.0438385", + "-0.1920505", + "-0.2140011", + "0.3401574", + "0.7815622", + "-0.0600723", + "-1.5395448", + "-0.3117726", + "1.1433564", + "0.5327980", + "0.0228599", + "-0.0022650", + "0.0005250", + "-0.0002420" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000028", + "-0.0000102", + "-0.0000333", + "-0.0000997", + "-0.0002763", + "-0.0007193", + "-0.0017347", + "-0.0038720", + "-0.0075730", + "-0.0120871", + "-0.0101814", + "0.0172670", + "0.0782302", + "0.0857640", + "-0.1388978", + "-0.3419846", + "0.0412218", + "0.7614747", + "0.1654148", + "-0.9141931", + "-0.5388220", + "0.8389731", + "0.5903795", + "0.0129471", + "-0.0041959" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000007", + "0.0000025", + "0.0000081", + "0.0000242", + "0.0000671", + "0.0001750", + "0.0004210", + "0.0009423", + "0.0018367", + "0.0029464", + "0.0024554", + "-0.0041512", + "-0.0191538", + "-0.0206777", + "0.0334653", + "0.0849076", + "-0.0123998", + "-0.1871820", + "-0.0465363", + "0.2494420", + "0.1453765", + "-0.2633935", + "-0.4254896", + "0.7398449", + "0.4469464" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.7165770e+05", + "1.3530211e+05", + "4.3954020e+04", + "1.6830640e+04", + "7.1597036e+03", + "3.2809035e+03", + "1.5906475e+03", + "8.0577531e+02", + "4.2248276e+02", + "2.2728629e+02", + "1.2409772e+02", + "6.9244058e+01", + "3.8650842e+01", + "2.1064956e+01", + "1.1920096e+01", + "6.5301580e+00", + "3.4911059e+00", + "1.8061739e+00", + "8.0684356e-01", + "3.6535550e-01", + "1.5303064e-01" + ], + "coefficients": [ + [ + "0.0000141", + "0.0001258", + "0.0007374", + "0.0033759", + "0.0128469", + "0.0413225", + "0.1102158", + "0.2304830", + "0.3414323", + "0.2993075", + "0.1183415", + "0.0126032", + "0.0009892", + "-0.0005868", + "0.0002772", + "-0.0001687", + "0.0000993", + "-0.0000400", + "0.0000162", + "-0.0000066", + "0.0000017" + ], + [ + "-0.0000073", + "-0.0000654", + "-0.0003839", + "-0.0017660", + "-0.0067931", + "-0.0223210", + "-0.0619232", + "-0.1375653", + "-0.2186509", + "-0.1622660", + "0.1751326", + "0.5212226", + "0.3802300", + "0.0821698", + "0.0008279", + "0.0009940", + "-0.0006223", + "0.0001667", + "-0.0000722", + "0.0000293", + "-0.0000077" + ], + [ + "0.0000039", + "0.0000348", + "0.0002046", + "0.0009414", + "0.0036351", + "0.0119961", + "0.0336614", + "0.0759046", + "0.1234990", + "0.0852059", + "-0.1597991", + "-0.4835983", + "-0.2652907", + "0.4711263", + "0.6280880", + "0.1788150", + "0.0093422", + "0.0014362", + "-0.0002660", + "0.0000968", + "-0.0000243" + ], + [ + "-0.0000019", + "-0.0000174", + "-0.0001023", + "-0.0004712", + "-0.0018187", + "-0.0060182", + "-0.0169131", + "-0.0383696", + "-0.0626636", + "-0.0426503", + "0.0919462", + "0.2796105", + "0.1375694", + "-0.4197443", + "-0.6362698", + "0.2213760", + "0.7483431", + "0.3330132", + "0.0272032", + "-0.0004059", + "0.0001502" + ], + [ + "0.0000007", + "0.0000063", + "0.0000367", + "0.0001696", + "0.0006524", + "0.0021678", + "0.0060713", + "0.0138530", + "0.0225023", + "0.0155353", + "-0.0345611", + "-0.1027604", + "-0.0518782", + "0.1759940", + "0.2595423", + "-0.1389291", + "-0.4538930", + "-0.1490006", + "0.4782425", + "0.5885298", + "0.1528204" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.7531585e+04", + "5.3176342e+03", + "2.0865340e+03", + "9.3629112e+02", + "4.5641050e+02", + "2.3545223e+02", + "1.2602182e+02", + "6.9355721e+01", + "3.8509267e+01", + "2.1224330e+01", + "1.1852335e+01", + "6.5003831e+00", + "3.4289811e+00", + "1.7240834e+00", + "7.6508360e-01" + ], + "coefficients": [ + [ + "0.0000958", + "0.0009688", + "0.0059831", + "0.0265068", + "0.0868725", + "0.2077093", + "0.3396351", + "0.3353198", + "0.1664688", + "0.0313933", + "0.0011741", + "0.0000947", + "-0.0001251", + "-0.0000096", + "-0.0000097" + ], + [ + "-0.0000551", + "-0.0005578", + "-0.0034735", + "-0.0155530", + "-0.0520812", + "-0.1272436", + "-0.2052948", + "-0.1493986", + "0.1560802", + "0.4720451", + "0.3905753", + "0.1123990", + "0.0085735", + "0.0005626", + "0.0000145" + ], + [ + "0.0000261", + "0.0002631", + "0.0016495", + "0.0073765", + "0.0249300", + "0.0609783", + "0.0987560", + "0.0617736", + "-0.1165929", + "-0.3155275", + "-0.1906354", + "0.3123946", + "0.5482887", + "0.3017036", + "0.0488369" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.7624670e+03", + "6.2504224e+02", + "2.7350184e+02", + "1.3329566e+02", + "6.8791765e+01", + "3.6734839e+01", + "1.9863314e+01", + "1.0808874e+01", + "5.7923296e+00", + "2.9816133e+00", + "1.4689714e+00", + "6.7896828e-01", + "2.8386855e-01" + ], + "coefficients": [ + [ + "0.0003352", + "0.0034510", + "0.0198152", + "0.0734597", + "0.1865754", + "0.3180685", + "0.3586691", + "0.2280074", + "0.0678710", + "0.0067018", + "0.0001699", + "0.0000111", + "0.0000002" + ], + [ + "-0.0001331", + "-0.0013667", + "-0.0079205", + "-0.0293855", + "-0.0751265", + "-0.1211979", + "-0.1124959", + "0.0356087", + "0.2691842", + "0.3891839", + "0.3296744", + "0.1823053", + "0.0501635" + ] + ] + } + ] + }, + "103": { + "references": [ + "koga2000a" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.0135183e+08", + "6.0126624e+07", + "1.3694487e+07", + "3.8830389e+06", + "1.2687011e+06", + "4.5898073e+05", + "1.7954699e+05", + "7.4794104e+04", + "3.2828618e+04", + "1.5059791e+04", + "7.1735091e+03", + "3.5293782e+03", + "1.7850195e+03", + "9.2042679e+02", + "4.6111919e+02", + "2.4809237e+02", + "1.3455020e+02", + "7.0119821e+01", + "3.9015741e+01", + "2.0491163e+01", + "1.2065731e+01", + "6.5894653e+00", + "3.5127201e+00", + "1.8308794e+00", + "6.7353093e-01", + "3.0318056e-01", + "5.5566859e-02", + "2.3030780e-02" + ], + "coefficients": [ + [ + "0.0000010", + "0.0000074", + "0.0000388", + "0.0001637", + "0.0005955", + "0.0019394", + "0.0057686", + "0.0158193", + "0.0399008", + "0.0911088", + "0.1806873", + "0.2869705", + "0.3124350", + "0.1795595", + "0.0322701", + "-0.0014007", + "0.0010496", + "-0.0006967", + "0.0004506", + "-0.0003291", + "0.0002443", + "-0.0001292", + "0.0000609", + "-0.0000227", + "0.0000064", + "-0.0000023", + "0.0000005", + "-0.0000002" + ], + [ + "-0.0000003", + "-0.0000025", + "-0.0000131", + "-0.0000552", + "-0.0002010", + "-0.0006554", + "-0.0019592", + "-0.0054220", + "-0.0139886", + "-0.0333709", + "-0.0724865", + "-0.1359608", + "-0.1984078", + "-0.1440610", + "0.1958853", + "0.5508750", + "0.3910628", + "0.0661295", + "-0.0034519", + "0.0020676", + "-0.0014941", + "0.0006949", + "-0.0002938", + "0.0001130", + "-0.0000322", + "0.0000113", + "-0.0000026", + "0.0000012" + ], + [ + "0.0000002", + "0.0000012", + "0.0000064", + "0.0000269", + "0.0000979", + "0.0003191", + "0.0009555", + "0.0026459", + "0.0068579", + "0.0164564", + "0.0363339", + "0.0699709", + "0.1080188", + "0.0848942", + "-0.1462774", + "-0.5620461", + "-0.5004685", + "0.4971402", + "0.7920139", + "0.2044744", + "-0.0071928", + "0.0052867", + "-0.0023570", + "0.0006388", + "-0.0001623", + "0.0000658", + "-0.0000143", + "0.0000065" + ], + [ + "-0.0000001", + "-0.0000006", + "-0.0000034", + "-0.0000143", + "-0.0000521", + "-0.0001698", + "-0.0005082", + "-0.0014091", + "-0.0036522", + "-0.0087903", + "-0.0194553", + "-0.0378175", + "-0.0590409", + "-0.0479187", + "0.0877555", + "0.3617334", + "0.3704928", + "-0.5457266", + "-1.1555728", + "0.0875518", + "1.1084917", + "0.3601317", + "0.0172925", + "0.0021926", + "-0.0003224", + "0.0000290", + "-0.0000152", + "0.0000067" + ], + [ + "0.0000000", + "0.0000003", + "0.0000017", + "0.0000074", + "0.0000268", + "0.0000875", + "0.0002616", + "0.0007260", + "0.0018800", + "0.0045332", + "0.0100281", + "0.0195754", + "0.0305900", + "0.0251917", + "-0.0469905", + "-0.1961549", + "-0.2121544", + "0.3486838", + "0.7875416", + "-0.0595517", + "-1.5458452", + "-0.3283598", + "1.1433292", + "0.5423011", + "0.0240589", + "-0.0022238", + "0.0005157", + "-0.0002264" + ], + [ + "0.0000000", + "-0.0000001", + "-0.0000007", + "-0.0000030", + "-0.0000109", + "-0.0000355", + "-0.0001063", + "-0.0002942", + "-0.0007642", + "-0.0018367", + "-0.0040808", + "-0.0079283", + "-0.0124979", + "-0.0101319", + "0.0188991", + "0.0814850", + "0.0867243", + "-0.1453997", + "-0.3518694", + "0.0418825", + "0.7825100", + "0.1771880", + "-0.9340671", + "-0.5739733", + "0.8520949", + "0.6015982", + "0.0149524", + "-0.0045040" + ], + [ + "0.0000000", + "0.0000000", + "0.0000002", + "0.0000008", + "0.0000028", + "0.0000090", + "0.0000271", + "0.0000750", + "0.0001949", + "0.0004678", + "0.0010410", + "0.0020188", + "0.0031914", + "0.0025720", + "-0.0047933", + "-0.0208747", + "-0.0220430", + "0.0370165", + "0.0912334", + "-0.0122208", + "-0.2040784", + "-0.0494992", + "0.2652876", + "0.1692550", + "-0.2981110", + "-0.4338260", + "0.7141083", + "0.4836554" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.6752457e+05", + "1.3432315e+05", + "4.3640492e+04", + "1.6721851e+04", + "7.1252348e+03", + "3.2723833e+03", + "1.5897577e+03", + "8.0636575e+02", + "4.2303374e+02", + "2.2757154e+02", + "1.2413189e+02", + "6.9367349e+01", + "3.8771201e+01", + "2.1170828e+01", + "1.2019315e+01", + "6.6137890e+00", + "3.5426525e+00", + "1.8439231e+00", + "8.4263022e-01", + "3.8696025e-01", + "1.6203923e-01" + ], + "coefficients": [ + [ + "0.0000147", + "0.0001319", + "0.0007727", + "0.0035272", + "0.0133500", + "0.0426635", + "0.1130275", + "0.2345852", + "0.3434563", + "0.2952517", + "0.1128284", + "0.0110986", + "0.0010250", + "-0.0006367", + "0.0003135", + "-0.0001874", + "0.0001098", + "-0.0000459", + "0.0000188", + "-0.0000076", + "0.0000019" + ], + [ + "-0.0000077", + "-0.0000686", + "-0.0004028", + "-0.0018475", + "-0.0070706", + "-0.0230908", + "-0.0636766", + "-0.1404757", + "-0.2205826", + "-0.1562385", + "0.1908666", + "0.5247992", + "0.3682813", + "0.0762470", + "0.0005911", + "0.0008842", + "-0.0005792", + "0.0001558", + "-0.0000678", + "0.0000273", + "-0.0000069" + ], + [ + "0.0000041", + "0.0000366", + "0.0002152", + "0.0009873", + "0.0037933", + "0.0124441", + "0.0347143", + "0.0777639", + "0.1249686", + "0.0812911", + "-0.1732825", + "-0.4900093", + "-0.2452049", + "0.4942474", + "0.6137386", + "0.1686451", + "0.0087983", + "0.0012865", + "-0.0002469", + "0.0000809", + "-0.0000207" + ], + [ + "-0.0000021", + "-0.0000184", + "-0.0001081", + "-0.0004970", + "-0.0019080", + "-0.0062789", + "-0.0175372", + "-0.0395455", + "-0.0637489", + "-0.0408389", + "0.1003825", + "0.2850137", + "0.1255083", + "-0.4466978", + "-0.6250164", + "0.2534181", + "0.7470149", + "0.3169357", + "0.0249399", + "-0.0001176", + "0.0000757" + ], + [ + "0.0000008", + "0.0000068", + "0.0000398", + "0.0001839", + "0.0007033", + "0.0023241", + "0.0064699", + "0.0146724", + "0.0235280", + "0.0152842", + "-0.0387534", + "-0.1077369", + "-0.0486157", + "0.1931643", + "0.2617867", + "-0.1604557", + "-0.4715101", + "-0.1404931", + "0.5055842", + "0.5808004", + "0.1379858" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.0894677e+04", + "6.3357633e+03", + "2.4850220e+03", + "1.1146126e+03", + "5.4371888e+02", + "2.8077806e+02", + "1.5065464e+02", + "8.3032224e+01", + "4.6283751e+01", + "2.5701017e+01", + "1.4450602e+01", + "8.0289962e+00", + "4.3406667e+00", + "2.2731612e+00", + "1.1215799e+00", + "4.6854989e-01", + "1.8577543e-01", + "6.7815771e-02" + ], + "coefficients": [ + [ + "0.0000680", + "0.0006919", + "0.0043344", + "0.0197052", + "0.0672264", + "0.1712469", + "0.3077241", + "0.3540479", + "0.2169736", + "0.0560791", + "0.0035575", + "0.0003543", + "-0.0002322", + "0.0000242", + "-0.0000344", + "0.0000075", + "-0.0000032", + "0.0000010" + ], + [ + "-0.0000392", + "-0.0003998", + "-0.0025196", + "-0.0115762", + "-0.0402055", + "-0.1049422", + "-0.1886718", + "-0.1870576", + "0.0548879", + "0.4046162", + "0.4559225", + "0.1815827", + "0.0218190", + "0.0011337", + "0.0000422", + "0.0000276", + "-0.0000113", + "0.0000028" + ], + [ + "0.0000187", + "0.0001904", + "0.0012054", + "0.0055393", + "0.0193704", + "0.0507482", + "0.0916096", + "0.0855345", + "-0.0584427", + "-0.2732904", + "-0.2813203", + "0.1607759", + "0.5274595", + "0.3981922", + "0.1066202", + "0.0064519", + "0.0000732", + "0.0000185" + ], + [ + "-0.0000044", + "-0.0000454", + "-0.0002862", + "-0.0013201", + "-0.0046064", + "-0.0121173", + "-0.0217946", + "-0.0202949", + "0.0155830", + "0.0682837", + "0.0698974", + "-0.0597939", + "-0.1579807", + "-0.1156526", + "0.1344195", + "0.4202240", + "0.4723478", + "0.2216605" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.8884200e+03", + "6.6995218e+02", + "2.9352103e+02", + "1.4339953e+02", + "7.4239729e+01", + "3.9826507e+01", + "2.1635647e+01", + "1.1850189e+01", + "6.4037065e+00", + "3.3282902e+00", + "1.6615830e+00", + "7.8123508e-01", + "3.3216259e-01" + ], + "coefficients": [ + [ + "0.0002983", + "0.0030972", + "0.0179356", + "0.0675226", + "0.1748531", + "0.3069233", + "0.3597250", + "0.2430067", + "0.0791051", + "0.0090054", + "0.0002041", + "0.0000243", + "-0.0000051" + ], + [ + "-0.0001224", + "-0.0012643", + "-0.0073997", + "-0.0278495", + "-0.0727470", + "-0.1215463", + "-0.1203837", + "0.0168372", + "0.2559094", + "0.3921682", + "0.3389935", + "0.1836088", + "0.0469152" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/koga_atomic.1.table.json b/basis_set_exchange/data/koga_atomic.1.table.json new file mode 100644 index 000000000..ecd7ba88e --- /dev/null +++ b/basis_set_exchange/data/koga_atomic.1.table.json @@ -0,0 +1,113 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from Tatewaki's website", + "revision_date": "2021-01-28", + "elements": { + "1": "koga/koga_atomic.1.element.json", + "2": "koga/koga_atomic.1.element.json", + "3": "koga/koga_atomic.1.element.json", + "4": "koga/koga_atomic.1.element.json", + "5": "koga/koga_atomic.1.element.json", + "6": "koga/koga_atomic.1.element.json", + "7": "koga/koga_atomic.1.element.json", + "8": "koga/koga_atomic.1.element.json", + "9": "koga/koga_atomic.1.element.json", + "10": "koga/koga_atomic.1.element.json", + "11": "koga/koga_atomic.1.element.json", + "12": "koga/koga_atomic.1.element.json", + "13": "koga/koga_atomic.1.element.json", + "14": "koga/koga_atomic.1.element.json", + "15": "koga/koga_atomic.1.element.json", + "16": "koga/koga_atomic.1.element.json", + "17": "koga/koga_atomic.1.element.json", + "18": "koga/koga_atomic.1.element.json", + "19": "koga/koga_atomic.1.element.json", + "20": "koga/koga_atomic.1.element.json", + "21": "koga/koga_atomic.1.element.json", + "22": "koga/koga_atomic.1.element.json", + "23": "koga/koga_atomic.1.element.json", + "24": "koga/koga_atomic.1.element.json", + "25": "koga/koga_atomic.1.element.json", + "26": "koga/koga_atomic.1.element.json", + "27": "koga/koga_atomic.1.element.json", + "28": "koga/koga_atomic.1.element.json", + "29": "koga/koga_atomic.1.element.json", + "30": "koga/koga_atomic.1.element.json", + "31": "koga/koga_atomic.1.element.json", + "32": "koga/koga_atomic.1.element.json", + "33": "koga/koga_atomic.1.element.json", + "34": "koga/koga_atomic.1.element.json", + "35": "koga/koga_atomic.1.element.json", + "36": "koga/koga_atomic.1.element.json", + "37": "koga/koga_atomic.1.element.json", + "38": "koga/koga_atomic.1.element.json", + "39": "koga/koga_atomic.1.element.json", + "40": "koga/koga_atomic.1.element.json", + "41": "koga/koga_atomic.1.element.json", + "42": "koga/koga_atomic.1.element.json", + "43": "koga/koga_atomic.1.element.json", + "44": "koga/koga_atomic.1.element.json", + "45": "koga/koga_atomic.1.element.json", + "46": "koga/koga_atomic.1.element.json", + "47": "koga/koga_atomic.1.element.json", + "48": "koga/koga_atomic.1.element.json", + "49": "koga/koga_atomic.1.element.json", + "50": "koga/koga_atomic.1.element.json", + "51": "koga/koga_atomic.1.element.json", + "52": "koga/koga_atomic.1.element.json", + "53": "koga/koga_atomic.1.element.json", + "54": "koga/koga_atomic.1.element.json", + "55": "koga/koga_atomic.1.element.json", + "56": "koga/koga_atomic.1.element.json", + "57": "koga/koga_atomic.1.element.json", + "58": "koga/koga_atomic.1.element.json", + "59": "koga/koga_atomic.1.element.json", + "60": "koga/koga_atomic.1.element.json", + "61": "koga/koga_atomic.1.element.json", + "62": "koga/koga_atomic.1.element.json", + "63": "koga/koga_atomic.1.element.json", + "64": "koga/koga_atomic.1.element.json", + "65": "koga/koga_atomic.1.element.json", + "66": "koga/koga_atomic.1.element.json", + "67": "koga/koga_atomic.1.element.json", + "68": "koga/koga_atomic.1.element.json", + "69": "koga/koga_atomic.1.element.json", + "70": "koga/koga_atomic.1.element.json", + "71": "koga/koga_atomic.1.element.json", + "72": "koga/koga_atomic.1.element.json", + "73": "koga/koga_atomic.1.element.json", + "74": "koga/koga_atomic.1.element.json", + "75": "koga/koga_atomic.1.element.json", + "76": "koga/koga_atomic.1.element.json", + "77": "koga/koga_atomic.1.element.json", + "78": "koga/koga_atomic.1.element.json", + "79": "koga/koga_atomic.1.element.json", + "80": "koga/koga_atomic.1.element.json", + "81": "koga/koga_atomic.1.element.json", + "82": "koga/koga_atomic.1.element.json", + "83": "koga/koga_atomic.1.element.json", + "84": "koga/koga_atomic.1.element.json", + "85": "koga/koga_atomic.1.element.json", + "86": "koga/koga_atomic.1.element.json", + "87": "koga/koga_atomic.1.element.json", + "88": "koga/koga_atomic.1.element.json", + "89": "koga/koga_atomic.1.element.json", + "90": "koga/koga_atomic.1.element.json", + "91": "koga/koga_atomic.1.element.json", + "92": "koga/koga_atomic.1.element.json", + "93": "koga/koga_atomic.1.element.json", + "94": "koga/koga_atomic.1.element.json", + "95": "koga/koga_atomic.1.element.json", + "96": "koga/koga_atomic.1.element.json", + "97": "koga/koga_atomic.1.element.json", + "98": "koga/koga_atomic.1.element.json", + "99": "koga/koga_atomic.1.element.json", + "100": "koga/koga_atomic.1.element.json", + "101": "koga/koga_atomic.1.element.json", + "102": "koga/koga_atomic.1.element.json", + "103": "koga/koga_atomic.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/koga_atomic.metadata.json b/basis_set_exchange/data/koga_atomic.metadata.json new file mode 100644 index 000000000..930a44b6e --- /dev/null +++ b/basis_set_exchange/data/koga_atomic.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "Koga unpolarized" + ], + "tags": [], + "family": "koga", + "description": "Non-relativistic unpolarized basis sets for atomic calculations, designed for use in uncontracted form", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file