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Calculated Frequencies for SiH2F2 (difluorosilane) 1A1 C2v

B3PW91/STO-3G 1A1 C2V

19 05 15 13 41
InChI=1S/F2H2Si/c1-3-2/h3H2 INChIKey=PUUOOWSPWTVMDS-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 2589 2291 35.815 1.0321 66.00 0.13 0.24
2 A1 1104 977 116.171 1.0815 18.03 0.72 0.84
3 A1 840 743 11.026 10.6574 4.51 0.17 0.28
4 A1 299 264 11.442 15.4881 1.49 0.75 0.86
5 A2 791 700 0.000 1.0493 11.97 0.75 0.86
6 B1 2622 2321 61.127 1.0546 40.68 0.75 0.86
7 B1 687 608 101.579 1.3782 3.82 0.75 0.86
8 B2 1048 928 224.621 1.7478 2.83 0.75 0.86
9 B2 900 796 3.031 2.5284 5.98 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5440 cm-1
Scaled (by 0.885) Zero Point Vibrational Energy (zpe) 4814 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 4 active active
A2 1 1 active
B1 1 2 active active
B2 1 2 active active