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Calculated Frequencies for H2CO (Formaldehyde) 1A1 C2v

PBEPBE/STO-3G 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 3034 2772 7.208 1.0568 50.84 0.16 0.27
2 A1 1818 1661 7.363 3.2903 3.28 0.25 0.40
3 A1 1584 1447 2.014 1.3389 15.45 0.69 0.82
4 B1 1097 1002 7.547 1.3731 0.33 0.75 0.86
5 B2 3131 2860 68.109 1.1154 32.99 0.75 0.86
6 B2 1241 1134 12.141 1.3448 4.19 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5953 cm-1
Scaled (by 0.9136) Zero Point Vibrational Energy (zpe) 5438 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