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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

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

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2919 -40 A1 2959  
2 A1 2882 -48 A1 2930  
3 A1 1517 44 A1 1473  
4 A1 1462 1 A1 1461  
5 A1 1376 34 A1 1342  
6 A1 1033 -101 A1 1134  
7 A1 926 -92 A1 1018  
8 A1 813 -95 A1 908  
9 A2 2915 -85 A2 3000  
10 A2 1207 -76 A2 1283  
11 A2 1148 -37 A2 1185  
12 A2 807 -179 A2 986  
13 B1 2966 -41 B1 3007  
14 B1 2914 -26 B1 2940  
15 B1 1185 -40 B1 1225  
16 B1 1143 1 B1 1142  
17 B1 739 -97 B1 836  
18 B1 83 -7 B1 90  
19 B2 2874 -92 B2 2966  
20 B2 1489 -19 B2 1508  
21 B2 1303 -155 B2 1458  
22 B2 1252 -111 B2 1363  
23 B2 1056 -172 B2 1228  
24 B2 904 -32 B2 936  
The calculated vibrational frequencies were scaled by 0.9055

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.