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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

HF/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2952 -7 A1 2959  
2 A1 2939 9 A1 2930  
3 A1 1541 68 A1 1473  
4 A1 1478 17 A1 1461  
5 A1 1343 1 A1 1342  
6 A1 964 -170 A1 1134  
7 A1 844 -174 A1 1018  
8 A1 802 -106 A1 908  
9 A2 2985 -15 A2 3000  
10 A2 1231 -52 A2 1283  
11 A2 1112 -73 A2 1185  
12 A2 838 -148 A2 986  
13 B1 3005 -2 B1 3007  
14 B1 2978 38 B1 2940  
15 B1 1189 -36 B1 1225  
16 B1 1092 -50 B1 1142  
17 B1 734 -102 B1 836  
18 B1 115 25 B1 90  
19 B2 2935 -31 B2 2966  
20 B2 1515 7 B2 1508  
21 B2 1289 -169 B2 1458  
22 B2 1255 -108 B2 1363  
23 B2 974 -254 B2 1228  
24 B2 862 -74 B2 936  
The calculated vibrational frequencies were scaled by 0.9026

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.