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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

B3LYP/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2974 15 A1 2959  
2 A1 2910 -20 A1 2930  
3 A1 1491 18 A1 1473  
4 A1 1439 -22 A1 1461  
5 A1 1336 -6 A1 1342  
6 A1 1015 -119 A1 1134  
7 A1 899 -119 A1 1018  
8 A1 790 -118 A1 908  
9 A2 2941 -59 A2 3000  
10 A2 1190 -93 A2 1283  
11 A2 1124 -61 A2 1185  
12 A2 806 -180 A2 986  
13 B1 3026 19 B1 3007  
14 B1 2940 0 B1 2940  
15 B1 1152 -73 B1 1225  
16 B1 1109 -33 B1 1142  
17 B1 736 -100 B1 836  
18 B1 72 -18 B1 90  
19 B2 2900 -66 B2 2966  
20 B2 1462 -46 B2 1508  
21 B2 1268 -190 B2 1458  
22 B2 1216 -147 B2 1363  
23 B2 1007 -221 B2 1228  
24 B2 910 -26 B2 936  
The calculated vibrational frequencies were scaled by 0.965

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.