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Copy pathGTH-PARAMETER_B97M-rV_NLCC
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GTH-PARAMETER_B97M-rV_NLCC
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###############################
# B97M-rV NLCC parameters #
###############################
B GTH-B97M-V-q3_NLCC GTH-B97M-V_NLCC
2 1 0 0
0.24540164337841 2 -5.50550402310126 -0.30879625945826
NLCC 1
0.21124951632902 1 128.00911601763613
1
0.36505102651637 1 6.59827266983881
C GTH-B97M-V-q4_NLCC GTH-B97M-V_NLCC
2 2 0 0
0.30527609442262 2 -8.81025157431637 1.14623519350499
NLCC 1
0.32146628873460 1 2.93363063142667
1
0.30367770198808 1 9.67220315709765
N GTH-B97M-V-q5_NLCC GTH-B97M-V_NLCC
2 3 0 0
0.27130371377613 2 -12.39657946960580 1.77405186763853
NLCC 1
0.29708394678720 1 5.43407241019206
1
0.25643700077787 1 13.65796819240678
O GTH-B97M-V-q6_NLCC GTH-B97M-V_NLCC
2 4 0 0
0.23972119669160 2 -16.67752207903292 2.42330921717994
NLCC 1
0.24494898721542 1 6.14528008674785
1
0.22194377491205 1 18.25499373133164
F GTH-B97M-V-q7_NLCC GTH-B97M-V_NLCC
2 5 0 0
0.20819025840896 2 -21.98114853276735 3.17334020618549
NLCC 1
0.21411476746588 1 6.19846219394199
1
0.19517088491153 1 23.76038274865031
Na GTH-B97M-V-q9_NLCC GTH-B97M-V_NLCC
3 6 0 0
0.24451446300125 2 0.41817928830365 0.20024982580357
NLCC 1
0.31023901505214 1 26.79582708305213
2
0.13054700427488 1 34.39107645086182
0.14390812947497 1 -13.85287396058894
Mg GTH-B97M-V-q10_NLCC GTH-B97M-V_NLCC
4 6 0 0
0.20623494476731 2 -20.74848262041951 3.52295898691301
NLCC 1
0.27515547631305 1 24.01609770812849
2
0.14114371937219 1 40.88537784529316
0.10694507746888 1 -9.95762468741537
Al GTH-B97M-V-q3_NLCC GTH-B97M-V_NLCC
2 1 0 0
0.60747641882658 2 -5.18983305781901 0.68835505121925
NLCC 1
0.30504904562178 1 40.80650304447868
2
0.44775212030315 2 5.98735939378352 -1.91493648699682
3.67235850495928
0.53559090408671 1 2.28739490388243
Si GTH-B97M-V-q4_NLCC GTH-B97M-V_NLCC
2 2 0 0
0.51532267059527 2 -6.18978614127937 0.27184573667510
NLCC 1
0.43874020627197 1 9.24268186103190
2
0.43711039180960 2 9.25786822999678 -2.70627081843751
3.50639335012812
0.50505644463443 1 2.49363641731242
P GTH-B97M-V-q5_NLCC GTH-B97M-V_NLCC
2 3 0 0
0.48334618487290 2 -5.79021244814460 0.63744767781873
NLCC 1
0.21403548213085 1 45.73913089627327
2
0.37260523587431 2 4.62163152047728 -0.63842696006046
4.19924029773370
0.42625481352485 1 3.53143209633083
S GTH-B97M-V-q6_NLCC GTH-B97M-V_NLCC
2 4 0 0
0.46732742969346 2 -4.15212708453532 0.32287227094930
NLCC 1
0.44648504908347 1 71.78231047566405
2
0.36663026463200 2 13.02592725128279 -4.24185229564011
5.49040479479281
0.40896474398800 1 3.61371488872365
Cl GTH-B97M-V-q7_NLCC GTH-B97M-V_NLCC
2 5 0 0
0.47908869281923 2 0.25638529199752 -0.97280281671309
NLCC 1
0.31855452937598 1 167.71774699348407
2
0.34060137189775 2 6.84284838802949 -1.63356266127927
4.68067618792390
0.39403914182584 1 3.34470539283774