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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

HF/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2936 -23 A1 2959  
2 A1 2907 -23 A1 2930  
3 A1 1509 36 A1 1473  
4 A1 1457 -4 A1 1461  
5 A1 1361 19 A1 1342  
6 A1 1030 -104 A1 1134  
7 A1 926 -92 A1 1018  
8 A1 813 -95 A1 908  
9 A2 2946 -54 A2 3000  
10 A2 1204 -79 A2 1283  
11 A2 1137 -48 A2 1185  
12 A2 807 -179 A2 986  
13 B1 2985 -22 B1 3007  
14 B1 2942 2 B1 2940  
15 B1 1181 -44 B1 1225  
16 B1 1135 -7 B1 1142  
17 B1 741 -95 B1 836  
18 B1 79 -11 B1 90  
19 B2 2901 -65 B2 2966  
20 B2 1481 -27 B2 1508  
21 B2 1291 -167 B2 1458  
22 B2 1242 -121 B2 1363  
23 B2 1043 -185 B2 1228  
24 B2 911 -25 B2 936  
The calculated vibrational frequencies were scaled by 0.9106

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.