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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

MP2/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2991 32 A1 2959  
2 A1 2931 1 A1 2930  
3 A1 1503 30 A1 1473  
4 A1 1472 11 A1 1461  
5 A1 1314 -28 A1 1342  
6 A1 1002 -132 A1 1134  
7 A1 902 -116 A1 1018  
8 A1 767 -141 A1 908  
9 A2 3030 30 A2 3000  
10 A2 1179 -104 A2 1283  
11 A2 1057 -128 A2 1185  
12 A2 787 -199 A2 986  
13 B1 3105 98 B1 3007  
14 B1 3032 92 B1 2940  
15 B1 1149 -76 B1 1225  
16 B1 1035 -107 B1 1142  
17 B1 720 -116 B1 836  
18 B1 94 5 B1 90  
19 B2 2928 -38 B2 2966  
20 B2 1485 -23 B2 1508  
21 B2 1247 -211 B2 1458  
22 B2 1230 -133 B2 1363  
23 B2 1051 -177 B2 1228  
24 B2 931 -5 B2 936  
The calculated vibrational frequencies were scaled by 0.8719

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.