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

Compare vibrational frequencies in CCCBDB for C2H4S (Thiirane)

HF/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3038 24 A1 3014  
2 A1 1480 24 A1 1457  
3 A1 1070 -40 A1 1110  
4 A1 1048 24 A1 1024  
5 A1 487 -140 A1 627  
6 A2 3117 29 A2 3088  
7 A2 1203 28 A2 1175  
8 A2 840 -55 A2 895  
9 B1 3135 47 B1 3088  
10 B1 889 -56 B1 945  
11 B1 829 4 B1 824  
12 B2 3033 20 B2 3013  
13 B2 1453 17 B2 1436  
14 B2 1096 45 B2 1051  
15 B2 553 -107 B2 660  
The calculated vibrational frequencies were scaled by 0.9056

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.