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Copy pathnormalmodes.txt
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16 lines (16 loc) · 821 Bytes
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1 2 3
A' A' A'
Frequencies --- 1722.4496 3799.4476 3925.0128
Reduced masses --- 1.0823 1.0455 1.0812
Force constants --- 1.8918 8.8926 9.8136
IR Intensities --- 81.9965 4.3127 29.5733
Coord Atom Element:
1 1 8 0.00000 -0.00004 0.06996
2 1 8 0.07049 0.05016 0.00003
3 1 8 0.00000 0.00000 0.00000
1 2 1 -0.42972 0.58365 -0.55484
2 2 1 -0.55933 -0.39826 0.43494
3 2 1 0.00000 0.00000 0.00000
1 3 1 0.42972 -0.58308 -0.55547
2 3 1 -0.55934 -0.39780 -0.43536
3 3 1 0.00000 0.00000 0.00000