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Calculated Frequencies for H2 (Formaldehyde) 1A1 C2v

HF/aug-cc-pVDZ 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 3107 2829 64.104 1.0491 147.92 0.11 0.20
2 A1 1978 1801 155.502 7.7957 14.90 0.22 0.36
3 A1 1630 1484 20.653 1.0922 7.50 0.40 0.57
4 B1 1326 1207 4.250 1.3681 0.02 0.75 0.86
5 B2 3186 2901 93.379 1.1196 67.66 0.75 0.86
6 B2 1348 1227 20.462 1.3477 0.71 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 6287 cm-1
Scaled (by 0.9106) Zero Point Vibrational Energy (zpe) 5725 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