return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Vibrations > Calculated > Frequencies OR Calculated > Vibrations > Frequencies

Calculated Frequencies for H2 (Formaldehyde) 1A1 C2v

G3 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 3160 3160 49.710 1.0491      
2 A1 2027 2027 150.066 7.2173      
3 A1 1680 1680 8.728 1.1046      
4 B1 1336 1336 0.367 1.3691      
5 B2 3231 3231 135.991 1.1206      
6 B2 1383 1383 23.146 1.3442      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 6408 cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6408 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