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Main /
GUINEA Example Output Starting guinea v2.3
Number of normal modes: 3
Normal modes by irrep:
Mode Irrep Harmonic Frequency
1 1 3810.82
2 1 1645.91
3 2 3919.92
VPT2
Index Irrep State Energy
1 1 2 0 0 7163.0065
2 1 0 0 2 7400.6459
VPT2 VPT2 VPT2 Dipole Moment Correction
Index Irrep State Energy Intensity x y z
1 1 0 2 0 3159.1174 22.7063 0.0000 0.0000 -54.1459
2 1 1 1 0 5218.7845 1.9447 0.0000 0.0000 -21.4183
3 2 0 1 1 5309.1384 3.8494 0.0000 0.0000 -4.2855
4 1 2 0 0 7192.5609 97.7173 0.0000 0.0000 11.3092
5 2 1 0 1 7209.4722 3.2384 0.0000 0.0000 28.4420
6 1 0 0 2 7371.0915 0.3417 0.0000 0.0000 45.5749
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