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Calculated Frequencies for PH3 (Phosphine) 1A1 C3v

B3PW91/6-311G** 1A1 C3V

19 05 15 13 41
InChI=1S/H3P/h1H3 INChIKey=XYFCBTPGUUZFHI-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 2402 2313 40.769 1.0323 239.01 0.00 0.01
2 A1 1012 975 30.478 1.0748 46.35 0.61 0.76
3 E 2413 2324 72.376 1.041 170.82 0.75 0.86
4 E 1137 1095 28.625 1.0253 115.85 0.75 0.86
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 5257 cm-1
Scaled (by 0.9631) Zero Point Vibrational Energy (zpe) 5063 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 C3v

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