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Compare vibrational frequencies in CCCBDB for CH2CS (Thioketene)

CCD/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 3152 3024   4 A1   3020  
2 A1 1814 1741   -16 A1   1757  
3 A1 1460 1401   69 A1   1332  
4 A1 798 765   -85 A1   850  
5 B1 859 824   126 B1   698  
6 B1 322 309   -105 B1   414  
7 B2 3235 3104   -4 B2   3107  
8 B2 1021 979   58 B2   922  
9 B2 299 287   -71 B2   357  
The calculated vibrational frequencies were scaled by 0.9595

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.