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Calculated Frequencies for NaS (Sodium sulfide) 2Π C∞v

B2PLYP=FULL/6-31+G** 2Π C*V

19 05 15 13 41
InChI=1S/Na.S INChIKey=BNOODXBBXFZASF-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 Σ 327 311 33.409 26.0511      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 164 cm-1
Scaled (by 0.951) Zero Point Vibrational Energy (zpe) 156 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 C*v

Rep deg. n vib IR R
Σ+ 1 1 active active
Σ- 1 0
Π 2 0 active active
Δ 2 0 active