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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 2921 -38 A1 2959  
2 A1 2896 -34 A1 2930  
3 A1 1523 50 A1 1473  
4 A1 1467 6 A1 1461  
5 A1 1382 40 A1 1342  
6 A1 1036 -98 A1 1134  
7 A1 930 -88 A1 1018  
8 A1 820 -88 A1 908  
9 A2 2930 -70 A2 3000  
10 A2 1216 -67 A2 1283  
11 A2 1150 -35 A2 1185  
12 A2 817 -169 A2 986  
13 B1 2968 -39 B1 3007  
14 B1 2927 -13 B1 2940  
15 B1 1192 -33 B1 1225  
16 B1 1150 8 B1 1142  
17 B1 748 -88 B1 836  
18 B1 100 10 B1 90  
19 B2 2888 -78 B2 2966  
20 B2 1496 -12 B2 1508  
21 B2 1310 -148 B2 1458  
22 B2 1261 -102 B2 1363  
23 B2 1058 -170 B2 1228  
24 B2 911 -25 B2 936  
The calculated vibrational frequencies were scaled by 0.9085

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.