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Calculated Frequencies for NaCN (Sodium Cyanide) 1Σ C∞v

HF/6-311G** 1Σ C*V

19 05 15 13 41
InChI=1S/CN.Na/c1-2; INChIKey=RTVFYQXEHKQMKO-UHFFFAOYSA-N Data for conformation 1
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 2431 2208 0.122 12.8254      
2 Σ 368 334 65.300 16.9376      
3 Π 129 118 32.501 12.7277      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 1528 cm-1
Scaled (by 0.9085) Zero Point Vibrational Energy (zpe) 1389 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.

Vibrational frequencies for multiple conformations are available

conformation index description minimum
1 C*V False
2 CS True
3 C*V False

List of Irreducible Representations for C*v

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