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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 2941 -18 A1 2959  
2 A1 2920 -10 A1 2930  
3 A1 1526 53 A1 1473  
4 A1 1490 29 A1 1461  
5 A1 1367 25 A1 1342  
6 A1 1002 -132 A1 1134  
7 A1 895 -123 A1 1018  
8 A1 813 -95 A1 908  
9 A2 2990 -10 A2 3000  
10 A2 1224 -59 A2 1283  
11 A2 1122 -63 A2 1185  
12 A2 835 -151 A2 986  
13 B1 3006 -1 B1 3007  
14 B1 2975 35 B1 2940  
15 B1 1197 -28 B1 1225  
16 B1 1129 -13 B1 1142  
17 B1 762 -74 B1 836  
18 B1 109 19 B1 90  
19 B2 2924 -42 B2 2966  
20 B2 1504 -4 B2 1508  
21 B2 1306 -152 B2 1458  
22 B2 1282 -81 B2 1363  
23 B2 997 -231 B2 1228  
24 B2 921 -15 B2 936  
The calculated vibrational frequencies were scaled by 0.9125

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.