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Compare vibrational frequencies in CCCBDB for H2CS- (thioformaldehyde anion)

MP4=FULL/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 A1 3069 2993           
2 A1 1418 1383           
3 A1 865 843   -17 A1   860  
4 B1 266 260   -190 B1   450  
5 B2 3150 3072           
6 B2 930 907           
The calculated vibrational frequencies were scaled by 0.9752

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.