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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

B3LYP/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3002 43 A1 2959  
2 A1 2922 -8 A1 2930  
3 A1 1497 24 A1 1473  
4 A1 1468 7 A1 1461  
5 A1 1304 -38 A1 1342  
6 A1 994 -140 A1 1134  
7 A1 893 -125 A1 1018  
8 A1 758 -150 A1 908  
9 A2 3015 15 A2 3000  
10 A2 1169 -114 A2 1283  
11 A2 1046 -139 A2 1185  
12 A2 793 -193 A2 986  
13 B1 3113 106 B1 3007  
14 B1 3017 77 B1 2940  
15 B1 1135 -90 B1 1225  
16 B1 1021 -121 B1 1142  
17 B1 725 -111 B1 836  
18 B1 105 16 B1 90  
19 B2 2916 -50 B2 2966  
20 B2 1476 -32 B2 1508  
21 B2 1235 -223 B2 1458  
22 B2 1216 -147 B2 1363  
23 B2 1024 -204 B2 1228  
24 B2 926 -10 B2 936  
The calculated vibrational frequencies were scaled by 0.8924

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.