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Calculated Frequencies for GaF3 (Gallium trifluoride) 1A1' D3h

CCSD/6-311G** 1A1' D3H

19 05 15 13 41
InChI=1S/3FH.Ga/h3*1H;/q;;;+3/p-3 INChIKey=WXXZSFJVAMRMPV-UHFFFAOYSA-K
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' 673 673 0.000 18.9984      
2 A2" 211 211 77.271 28.2658      
3 E' 767 767 194.752 24.0885      
4 E' 193 193 78.019 21.505      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 1402 cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1402 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 D3h

Rep deg. n vib IR R
A1' 1 1 active
A1" 1 0
A2' 1 0
A2" 1 1 active
E' 2 2 active active
E" 2 0 active