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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

MP2/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2989 30 A1 2959  
2 A1 2971 41 A1 2930  
3 A1 1502 29 A1 1473  
4 A1 1470 9 A1 1461  
5 A1 1315 -27 A1 1342  
6 A1 967 -167 A1 1134  
7 A1 796 -222 A1 1018  
8 A1 734 -174 A1 908  
9 A2 3052 52 A2 3000  
10 A2 1210 -73 A2 1283  
11 A2 1064 -121 A2 1185  
12 A2 835 -151 A2 986  
13 B1 3074 67 B1 3007  
14 B1 3044 104 B1 2940  
15 B1 1161 -64 B1 1225  
16 B1 1050 -92 B1 1142  
17 B1 766 -70 B1 836  
18 B1 42 -48 B1 90  
19 B2 2969 3 B2 2966  
20 B2 1478 -30 B2 1508  
21 B2 1257 -201 B2 1458  
22 B2 1239 -124 B2 1363  
23 B2 937 -291 B2 1228  
24 B2 874 -62 B2 936  
The calculated vibrational frequencies were scaled by 0.9663

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.