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Calculated Frequencies for H2CO (Formaldehyde) 1A1 C2v

CCD/6-311+G(3df,2pd) 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 2962 2962 55.194 1.0456 CH stretch      
2 A1 1853 1853 85.530 7.4908 CO stretch      
3 A1 1559 1559 10.052 1.1023 CH2 scissors      
4 B1 1214 1214 6.560 1.3652 CH2 wag      
5 B2 3038 3038 84.236 1.1208 CH stretch      
6 B2 1289 1289 13.075 1.3414 CH2 rock      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5957 cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5957 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