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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

HF/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2966 7 A1 2959  
2 A1 2918 -12 A1 2930  
3 A1 1501 28 A1 1473  
4 A1 1467 6 A1 1461  
5 A1 1348 6 A1 1342  
6 A1 1027 -107 A1 1134  
7 A1 934 -84 A1 1018  
8 A1 792 -116 A1 908  
9 A2 3014 14 A2 3000  
10 A2 1174 -109 A2 1283  
11 A2 1060 -125 A2 1185  
12 A2 789 -197 A2 986  
13 B1 3073 66 B1 3007  
14 B1 3017 77 B1 2940  
15 B1 1153 -72 B1 1225  
16 B1 1050 -92 B1 1142  
17 B1 722 -114 B1 836  
18 B1 126 36 B1 90  
19 B2 2915 -51 B2 2966  
20 B2 1479 -29 B2 1508  
21 B2 1270 -188 B2 1458  
22 B2 1250 -113 B2 1363  
23 B2 1102 -126 B2 1228  
24 B2 936 -0 B2 936  
The calculated vibrational frequencies were scaled by 0.8165

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.