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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

B3LYP/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2999 40 A1 2959  
2 A1 2965 35 A1 2930  
3 A1 1541 68 A1 1473  
4 A1 1481 20 A1 1461  
5 A1 1318 -24 A1 1342  
6 A1 966 -168 A1 1134  
7 A1 829 -189 A1 1018  
8 A1 777 -131 A1 908  
9 A2 3005 5 A2 3000  
10 A2 1228 -55 A2 1283  
11 A2 1091 -94 A2 1185  
12 A2 847 -139 A2 986  
13 B1 3056 49 B1 3007  
14 B1 3004 64 B1 2940  
15 B1 1170 -55 B1 1225  
16 B1 1056 -86 B1 1142  
17 B1 741 -95 B1 836  
18 B1 99 9 B1 90  
19 B2 2955 -11 B2 2966  
20 B2 1512 4 B2 1508  
21 B2 1263 -195 B2 1458  
22 B2 1234 -129 B2 1363  
23 B2 936 -292 B2 1228  
24 B2 882 -54 B2 936  
The calculated vibrational frequencies were scaled by 0.9649

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.