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Calculated Frequencies for NaOH (sodium hydroxide) 1Σ C∞v

HF/LANL2DZ 1Σ C*V

19 05 15 13 41
InChI=1S/Na.H2O/h;1H2/q+1;/p-1 INChIKey=HEMHJVSKTPXQMS-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 4146 3731 5.023 1.0703      
2 Σ 591 532 58.490 11.2481      
3 internal rotation Π 470 423 433.461 1.1482      
The internal rotation icon indicates there is calculated data on internal rotation or inversion corresponding to this vibrational mode. Click on the icon in the table to go to the pages on internal rotation. Other modes may correspond to internal rotation too, but we have only calculated the internal rotation potential energy surface for the indicated modes.
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 2839 cm-1
Scaled (by 0.8999) Zero Point Vibrational Energy (zpe) 2555 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