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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

MP2/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2989 30 A1 2959  
2 A1 2967 37 A1 2930  
3 A1 1554 81 A1 1473  
4 A1 1495 34 A1 1461  
5 A1 1320 -22 A1 1342  
6 A1 945 -189 A1 1134  
7 A1 802 -216 A1 1018  
8 A1 743 -165 A1 908  
9 A2 3017 17 A2 3000  
10 A2 1232 -51 A2 1283  
11 A2 1094 -91 A2 1185  
12 A2 848 -138 A2 986  
13 B1 3053 46 B1 3007  
14 B1 3015 75 B1 2940  
15 B1 1172 -53 B1 1225  
16 B1 1056 -86 B1 1142  
17 B1 748 -88 B1 836  
18 B1 25 -65 B1 90  
19 B2 2961 -5 B2 2966  
20 B2 1528 20 B2 1508  
21 B2 1264 -194 B2 1458  
22 B2 1244 -119 B2 1363  
23 B2 920 -308 B2 1228  
24 B2 864 -72 B2 936  
The calculated vibrational frequencies were scaled by 0.9513

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.