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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

MP2/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2982 23 A1 2959  
2 A1 2943 13 A1 2930  
3 A1 1497 24 A1 1473  
4 A1 1445 -16 A1 1461  
5 A1 1321 -21 A1 1342  
6 A1 1003 -131 A1 1134  
7 A1 883 -135 A1 1018  
8 A1 753 -155 A1 908  
9 A2 2998 -2 A2 3000  
10 A2 1184 -99 A2 1283  
11 A2 1104 -81 A2 1185  
12 A2 807 -179 A2 986  
13 B1 3048 41 B1 3007  
14 B1 2995 55 B1 2940  
15 B1 1144 -81 B1 1225  
16 B1 1088 -54 B1 1142  
17 B1 740 -96 B1 836  
18 B1 107i -197 B1 90  
19 B2 2937 -29 B2 2966  
20 B2 1471 -37 B2 1508  
21 B2 1258 -200 B2 1458  
22 B2 1214 -149 B2 1363  
23 B2 989 -239 B2 1228  
24 B2 922 -14 B2 936  
The calculated vibrational frequencies were scaled by 0.9406

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.