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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

HF/6-311+G(3df,2p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2919 -40 A1 2959  
2 A1 2889 -41 A1 2930  
3 A1 1521 48 A1 1473  
4 A1 1468 7 A1 1461  
5 A1 1375 33 A1 1342  
6 A1 1034 -100 A1 1134  
7 A1 926 -92 A1 1018  
8 A1 812 -96 A1 908  
9 A2 2919 -81 A2 3000  
10 A2 1211 -72 A2 1283  
11 A2 1151 -34 A2 1185  
12 A2 811 -175 A2 986  
13 B1 2963 -44 B1 3007  
14 B1 2916 -24 B1 2940  
15 B1 1190 -35 B1 1225  
16 B1 1148 6 B1 1142  
17 B1 744 -92 B1 836  
18 B1 74 -16 B1 90  
19 B2 2881 -85 B2 2966  
20 B2 1494 -14 B2 1508  
21 B2 1307 -151 B2 1458  
22 B2 1255 -108 B2 1363  
23 B2 1053 -175 B2 1228  
24 B2 906 -30 B2 936  
The calculated vibrational frequencies were scaled by 0.9086

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.