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Compare vibrational frequencies in CCCBDB for CHSNH2 (thioformamide)

MP2/aug-cc-pVDZ

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' 3732 3579   98 A'   3481  
2 A' 3574 3427   107 A'   3320  
3 A' 3143 3014   24 A'   2990  
4 A' 1642 1575   -37 A'   1612  
5 A' 1466 1406   -37 A'   1443  
6 A' 1312 1258   -67 A'   1325  
7 A' 1143 1096   -29 A'   1125  
8 A' 907 869   26 A'   843  
9 A' 433 415   -24 A'   439  
10 A" 949 910   -75 A"   985  
11 A" 617 592   -78 A"   670  
12 A" 320 307   -86 A"   393  
The calculated vibrational frequencies were scaled by 0.959

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.