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Calculated Frequencies for H2CO (Formaldehyde) 1A1 C2v

PBEPBE/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 2780 2754 72.632 1.0426 195.39 0.17 0.29
2 A1 1777 1761 101.548 7.4341 4.38 0.67 0.80
3 A1 1492 1478 6.074 1.107 14.24 0.64 0.78
4 B1 1155 1144 3.032 1.3723 2.15 0.75 0.86
5 B2 2815 2789 199.499 1.1212 118.95 0.75 0.86
6 B2 1228 1217 11.289 1.3469 6.26 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5623 cm-1
Scaled (by 0.9909) Zero Point Vibrational Energy (zpe) 5572 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