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Calculated Frequencies for H2CO (Formaldehyde) 1A1 C2v

M06-2X/6-31G(2df,p) 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 2940 2800 50.791 1.0476 139.42 0.17 0.29
2 A1 1897 1807 106.184 8.0618 5.05 0.29 0.45
3 A1 1550 1476 6.556 1.0888 12.88 0.61 0.76
4 B1 1215 1158 2.338 1.3703 1.74 0.75 0.86
5 B2 3005 2862 124.949 1.119 66.06 0.75 0.86
6 B2 1280 1219 16.459 1.3487 4.82 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5944 cm-1
Scaled (by 0.9524) Zero Point Vibrational Energy (zpe) 5661 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