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Calculated Frequencies for H2CO (Formaldehyde) 1A1 C2v

HSEh1PBE/6-31+G** 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 2935 2802 63.658 1.0456 159.46 0.17 0.29
2 A1 1855 1771 118.440 7.6314 9.24 0.29 0.45
3 A1 1540 1471 6.276 1.0994 12.72 0.57 0.73
4 B1 1202 1147 5.091 1.3667 1.28 0.75 0.86
5 B2 3002 2866 123.436 1.1208 105.25 0.75 0.86
6 B2 1266 1209 9.707 1.3424 3.31 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5900 cm-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 5633 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