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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

HF/CEP-121G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2924 -35 A1 2959  
2 A1 2899 -31 A1 2930  
3 A1 1523 50 A1 1473  
4 A1 1470 9 A1 1461  
5 A1 1378 36 A1 1342  
6 A1 1026 -108 A1 1134  
7 A1 923 -95 A1 1018  
8 A1 806 -102 A1 908  
9 A2 2940 -60 A2 3000  
10 A2 1207 -76 A2 1283  
11 A2 1141 -44 A2 1185  
12 A2 805 -181 A2 986  
13 B1 2974 -33 B1 3007  
14 B1 2936 -4 B1 2940  
15 B1 1181 -44 B1 1225  
16 B1 1139 -3 B1 1142  
17 B1 735 -101 B1 836  
18 B1 77 -12 B1 90  
19 B2 2893 -73 B2 2966  
20 B2 1495 -13 B2 1508  
21 B2 1300 -158 B2 1458  
22 B2 1254 -109 B2 1363  
23 B2 1052 -176 B2 1228  
24 B2 905 -31 B2 936  
The calculated vibrational frequencies were scaled by 0.9034

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.