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Compare vibrational frequencies in CCCBDB for CH2CS (Thioketene)

MP3=FULL/6-31G

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A1 3184 3184   164 A1   3020  
2 A1 1824 1824   67 A1   1757  
3 A1 1468 1468   136 A1   1332  
4 A1 805 805   -45 A1   850  
5 B1 856 856   158 B1   698  
6 B1 336 336   -78 B1   414  
7 B2 3267 3267   159 B2   3107  
8 B2 1022 1022   101 B2   922  
9 B2 307 307   -50 B2   357  
The calculated vibrational frequencies were scaled by 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.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.