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Calculated Frequencies for H2 (Formaldehyde) 1A1 C2v

B2PLYP=FULLultrafine/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 3205 3205 2.778 1.0564 47.83 0.16 0.28
2 A1 1838 1838 5.530 2.6939 3.77 0.38 0.55
3 A1 1623 1623 1.760 1.4722 14.28 0.67 0.80
4 B1 1133 1133 6.078 1.3682 0.22 0.75 0.86
5 B2 3329 3329 46.685 1.1152 30.24 0.75 0.86
6 B2 1286 1286 16.996 1.3404 3.91 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 6207 cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6207 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