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Compare vibrational frequencies in CCCBDB for CHSNH2 (thioformamide)

B2PLYP=FULL/6-311G*

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 A' 3736 3736   255 A'   3481  
2 A' 3600 3600   280 A'   3320  
3 A' 3129 3129   139 A'   2990  
4 A' 1694 1694   82 A'   1612  
5 A' 1489 1489   46 A'   1443  
6 A' 1336 1336   11 A'   1325  
7 A' 1167 1167   42 A'   1125  
8 A' 891 891   48 A'   843  
9 A' 440 440   1 A'   439  
10 A" 961 961   -24 A"   985  
11 A" 630 630   -40 A"   670  
12 A" 307 307   -86 A"   393  
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.