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Calculated Frequencies for H2 (Formaldehyde) 1A1 C2v

wB97X-D/CEP-31G 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 3005 3005 78.974 1.0486 165.44 0.18 0.31
2 A1 1716 1716 58.979 4.0321 6.65 0.08 0.15
3 A1 1536 1536 20.029 1.2573 20.13 0.58 0.74
4 B1 1199 1199 18.879 1.3556 0.05 0.75 0.86
5 B2 3097 3097 159.753 1.1198 77.29 0.75 0.86
6 B2 1264 1264 8.537 1.3279 5.72 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5909 cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5909 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