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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for C2H4S (Thiirane)

HF/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3032 18 A1 3014  
2 A1 1493 36 A1 1457  
3 A1 1116 6 A1 1110  
4 A1 1067 43 A1 1024  
5 A1 514 -114 A1 627  
6 A2 3112 24 A2 3088  
7 A2 1209 34 A2 1175  
8 A2 893 -2 A2 895  
9 B1 3127 39 B1 3088  
10 B1 903 -42 B1 945  
11 B1 839 15 B1 824  
12 B2 3025 12 B2 3013  
13 B2 1465 29 B2 1436  
14 B2 1113 62 B2 1051  
15 B2 574 -86 B2 660  
The calculated vibrational frequencies were scaled by 0.9029

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.