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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

MP2/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2973 14 A1 2959  
2 A1 2927 -3 A1 2930  
3 A1 1519 46 A1 1473  
4 A1 1465 4 A1 1461  
5 A1 1337 -5 A1 1342  
6 A1 1018 -116 A1 1134  
7 A1 900 -118 A1 1018  
8 A1 763 -145 A1 908  
9 A2 2975 -25 A2 3000  
10 A2 1200 -83 A2 1283  
11 A2 1122 -63 A2 1185  
12 A2 819 -167 A2 986  
13 B1 3035 28 B1 3007  
14 B1 2974 34 B1 2940  
15 B1 1159 -66 B1 1225  
16 B1 1104 -38 B1 1142  
17 B1 748 -88 B1 836  
18 B1 86i -176 B1 90  
19 B2 2920 -46 B2 2966  
20 B2 1491 -17 B2 1508  
21 B2 1267 -191 B2 1458  
22 B2 1226 -137 B2 1363  
23 B2 1009 -219 B2 1228  
24 B2 932 -4 B2 936  
The calculated vibrational frequencies were scaled by 0.943

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.