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Calculated Frequencies for CNO- (fulminate) 1Σ C∞v

CCSD(T)/aug-cc-pVTZ 1Σ C*V

19 05 15 13 41
InChI=1S/CHNO/c1-2-3/h3H/p-1 INChIKey=OTXBWGUYZNKPMG-UHFFFAOYSA-M
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 2032 1971   13.1363      
2 Σ 1051 1020   14.3453      
3 Π 473 459   13.76      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 2015 cm-1
Scaled (by 0.9699) Zero Point Vibrational Energy (zpe) 1954 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 2 active active
Σ- 1 0
Π 2 1 active active
Δ 2 0 active