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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 2984 25 A1 2959  
2 A1 2914 -16 A1 2930  
3 A1 1509 36 A1 1473  
4 A1 1457 -4 A1 1461  
5 A1 1337 -5 A1 1342  
6 A1 998 -136 A1 1134  
7 A1 871 -147 A1 1018  
8 A1 778 -130 A1 908  
9 A2 2942 -58 A2 3000  
10 A2 1196 -87 A2 1283  
11 A2 1120 -65 A2 1185  
12 A2 818 -168 A2 986  
13 B1 3036 29 B1 3007  
14 B1 2941 1 B1 2940  
15 B1 1153 -72 B1 1225  
16 B1 1100 -42 B1 1142  
17 B1 746 -90 B1 836  
18 B1 64 -26 B1 90  
19 B2 2902 -64 B2 2966  
20 B2 1479 -29 B2 1508  
21 B2 1265 -193 B2 1458  
22 B2 1219 -144 B2 1363  
23 B2 971 -257 B2 1228  
24 B2 906 -30 B2 936  
The calculated vibrational frequencies were scaled by 0.9923

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.