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Calculated Frequencies for CH2NH (Methanimine) 1A' Cs

CCD/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' 3492 3261 0.478 1.0756      
2 A' 3180 2969 27.572 1.1143      
3 A' 3083 2879 33.929 1.0589      
4 A' 1731 1616 12.873 4.1169      
5 A' 1510 1410 5.510 1.2103      
6 A' 1403 1310 40.261 1.3867      
7 A' 1089 1016 35.310 1.075      
8 A" 1186 1107 45.167 1.0688      
9 A" 1111 1037 15.351 1.3626      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 8892 cm-1
Scaled (by 0.9337) Zero Point Vibrational Energy (zpe) 8303 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