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Compare vibrational frequencies in CCCBDB for CHSNH2 (thioformamide)

QCISD(T)=FULL/cc-pVTZ

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' 3737 3576   95 A'   3481  
2 A' 3603 3448   128 A'   3320  
3 A' 3131 2996   6 A'   2990  
4 A' 1654 1583   -29 A'   1612  
5 A' 1474 1411   -32 A'   1443  
6 A' 1318 1261   -64 A'   1325  
7 A' 1140 1091   -34 A'   1125  
8 A' 886 848   5 A'   843  
9 A' 428 410   -29 A'   439  
10 A" 979 937   -48 A"   985  
11 A" 632 605   -65 A"   670  
12 A" 305 292   -101 A"   393  
The calculated vibrational frequencies were scaled by 0.9569

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.