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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

HF/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2924 -35 A1 2959  
2 A1 2901 -29 A1 2930  
3 A1 1530 57 A1 1473  
4 A1 1473 12 A1 1461  
5 A1 1384 42 A1 1342  
6 A1 1034 -100 A1 1134  
7 A1 927 -91 A1 1018  
8 A1 817 -91 A1 908  
9 A2 2935 -65 A2 3000  
10 A2 1219 -64 A2 1283  
11 A2 1155 -30 A2 1185  
12 A2 817 -169 A2 986  
13 B1 2969 -38 B1 3007  
14 B1 2930 -10 B1 2940  
15 B1 1195 -30 B1 1225  
16 B1 1152 10 B1 1142  
17 B1 745 -91 B1 836  
18 B1 96 6 B1 90  
19 B2 2894 -72 B2 2966  
20 B2 1503 -5 B2 1508  
21 B2 1309 -149 B2 1458  
22 B2 1260 -103 B2 1363  
23 B2 1054 -174 B2 1228  
24 B2 908 -28 B2 936  
The calculated vibrational frequencies were scaled by 0.9044

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.