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ch2o-cart-disp.dat
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ch2o-cart-disp.dat
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A A A
Frequencies -- 1187.4527 1253.5575 1515.5548
Red. masses -- 1.3739 1.3484 1.1014
Frc consts -- 1.1414 1.2485 1.4906
IR Inten -- 1.5639 15.9887 5.8246
Atom AN X Y Z X Y Z X Y Z
1 6 0.00 0.00 -0.18 -0.00 -0.15 -0.00 0.00 0.00 -0.00
2 8 0.00 -0.00 0.04 -0.00 0.08 0.00 -0.08 -0.00 -0.00
3 1 -0.00 0.00 0.70 0.65 0.25 -0.00 0.61 0.35 0.00
4 1 -0.00 -0.00 0.70 -0.65 0.25 0.00 0.61 -0.35 0.00
4 5 6
A A A
Frequencies -- 1831.9471 2862.4606 2914.6872
Red. masses -- 7.5486 1.0453 1.1213
Frc consts -- 14.9260 5.0463 5.6124
IR Inten -- 108.8699 59.5999 177.7258
Atom AN X Y Z X Y Z X Y Z
1 6 0.59 -0.00 -0.00 -0.06 -0.00 -0.00 0.00 -0.10 0.00
2 8 -0.42 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00
3 1 -0.19 -0.44 -0.00 0.36 -0.61 0.00 -0.37 0.60 -0.00
4 1 -0.19 0.44 -0.00 0.36 0.61 0.00 0.37 0.60 0.00