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Compare vibrational frequencies in CCCBDB for CHSNH2 (thioformamide)

CCSD(T)/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' 3706 3567   86 A'   3481  
2 A' 3555 3422   102 A'   3320  
3 A' 3120 3003   13 A'   2990  
4 A' 1639 1577   -35 A'   1612  
5 A' 1449 1395   -48 A'   1443  
6 A' 1294 1246   -79 A'   1325  
7 A' 1130 1087   -38 A'   1125  
8 A' 877 844   1 A'   843  
9 A' 425 409   -30 A'   439  
10 A" 933 898   -87 A"   985  
11 A" 605 582   -88 A"   670  
12 A" 274 264   -129 A"   393  
The calculated vibrational frequencies were scaled by 0.9625

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.