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Calculated Frequencies for BS (Germanium tetrabromide) 1A1 Td

PBEPBEultrafine/6-311+G(3df,2p) 1A1 TD

19 05 15 13 41
InChI=1S/Br4Ge/c1-5(2,3)4 INChIKey=
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 221 221 0.000 78.9183 26.14 0.00 0.00
2 E 71 71 0.000 78.9183 4.45 0.75 0.86
3 T2 314 314 160.821 75.747 10.81 0.75 0.86
4 T2 105 105 4.519 77.9128 7.01 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 812 cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 812 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 Td

Rep deg. n vib IR R
A1 1 1 active
A2 1 0
E 2 1 active
T1 3 0
T2 3 2 active active