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Calculated Frequencies for H2 (Formaldehyde) 1A1 C2v

B2PLYP=FULLultrafine/6-311G** 1A1 C2V

19 05 15 13 41
InChI=1S/CH2O/c1-2/h1H2 INChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N
Mode
Number
Symmetry Frequency
(cm-1)
Scaled Frequency
(cm-1)
IR Intensity
(km/mol)
reduced mass
(u)
description Raman Act
4/u)
Dep P Dep U
1 A1 2918 2918 64.741 1.0434 177.89 0.17 0.28
2 A1 1802 1802 91.507 6.3479 3.49 0.57 0.72
3 A1 1554 1554 7.969 1.1349 14.30 0.60 0.75
4 B1 1210 1210 2.530 1.3688 1.38 0.75 0.86
5 B2 2973 2973 160.974 1.1206 98.72 0.75 0.86
6 B2 1281 1281 14.244 1.343 4.86 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5869 cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5869 cm-1

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.

List of Irreducible Representations for C2v

Rep deg. n vib IR R
A1 1 3 active active
A2 1 0 active
B1 1 1 active active
B2 1 2 active active