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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

PBEPBE/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2987 28 A1 2959  
2 A1 2913 -17 A1 2930  
3 A1 1506 33 A1 1473  
4 A1 1450 -11 A1 1461  
5 A1 1334 -8 A1 1342  
6 A1 1024 -110 A1 1134  
7 A1 904 -114 A1 1018  
8 A1 772 -136 A1 908  
9 A2 2942 -58 A2 3000  
10 A2 1192 -91 A2 1283  
11 A2 1121 -64 A2 1185  
12 A2 814 -172 A2 986  
13 B1 3042 35 B1 3007  
14 B1 2941 1 B1 2940  
15 B1 1148 -77 B1 1225  
16 B1 1099 -43 B1 1142  
17 B1 743 -93 B1 836  
18 B1 23 -67 B1 90  
19 B2 2901 -65 B2 2966  
20 B2 1475 -33 B2 1508  
21 B2 1259 -199 B2 1458  
22 B2 1211 -152 B2 1363  
23 B2 1012 -216 B2 1228  
24 B2 930 -6 B2 936  
The calculated vibrational frequencies were scaled by 0.9857

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.