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Calculated Frequencies for CH2NH (Methanimine) 1A' Cs

CID/cc-pVTZ 1A' CS

19 05 15 13 41
InChI=1S/CH3N/c1-2/h2H,1H2 INChIKey=WDWDWGRYHDPSDS-UHFFFAOYSA-N
Mode
Number
Symmetry Frequency
(cm-1)
Scaled Frequency
(cm-1)
IR Intensity
(km/mol)
reduced mass
(u)
description Raman Act
(Å4/u)
Dep P Dep U
1 A' 3573 3310 0.398 1.0756      
2 A' 3233 2995 28.101 1.1144      
3 A' 3136 2906 34.379 1.0593      
4 A' 1778 1647 18.589 4.4638      
5 A' 1540 1426 7.809 1.1869      
6 A' 1424 1319 42.204 1.3855      
7 A' 1106 1025 36.717 1.0731      
8 A" 1208 1120 47.693 1.0691      
9 A" 1147 1063 14.689 1.3639      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 9073 cm-1
Scaled (by 0.9265) Zero Point Vibrational Energy (zpe) 8406 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 Cs

Rep deg. n vib IR R
A' 1 7 active active
A" 1 2 active active