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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

BLYP/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2992 33 A1 2959  
2 A1 2962 32 A1 2930  
3 A1 1524 51 A1 1473  
4 A1 1487 26 A1 1461  
5 A1 1316 -26 A1 1342  
6 A1 973 -161 A1 1134  
7 A1 805 -213 A1 1018  
8 A1 756 -152 A1 908  
9 A2 3004 4 A2 3000  
10 A2 1216 -67 A2 1283  
11 A2 1081 -104 A2 1185  
12 A2 844 -142 A2 986  
13 B1 3048 41 B1 3007  
14 B1 3001 61 B1 2940  
15 B1 1171 -54 B1 1225  
16 B1 1061 -81 B1 1142  
17 B1 764 -72 B1 836  
18 B1 76 -14 B1 90  
19 B2 2952 -14 B2 2966  
20 B2 1500 -8 B2 1508  
21 B2 1266 -192 B2 1458  
22 B2 1242 -121 B2 1363  
23 B2 932 -296 B2 1228  
24 B2 857 -79 B2 936  
The calculated vibrational frequencies were scaled by 0.9924

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.