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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

B3LYP/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2970 11 A1 2959  
2 A1 2923 -7 A1 2930  
3 A1 1510 37 A1 1473  
4 A1 1458 -3 A1 1461  
5 A1 1346 4 A1 1342  
6 A1 1012 -122 A1 1134  
7 A1 895 -123 A1 1018  
8 A1 793 -115 A1 908  
9 A2 2955 -45 A2 3000  
10 A2 1207 -76 A2 1283  
11 A2 1133 -52 A2 1185  
12 A2 823 -163 A2 986  
13 B1 3020 13 B1 3007  
14 B1 2953 13 B1 2940  
15 B1 1166 -59 B1 1225  
16 B1 1121 -21 B1 1142  
17 B1 748 -88 B1 836  
18 B1 89 -1 B1 90  
19 B2 2913 -53 B2 2966  
20 B2 1482 -26 B2 1508  
21 B2 1279 -179 B2 1458  
22 B2 1232 -131 B2 1363  
23 B2 997 -231 B2 1228  
24 B2 915 -21 B2 936  
The calculated vibrational frequencies were scaled by 0.9663

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.