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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

LSDA/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2996 37 A1 2959  
2 A1 2934 4 A1 2930  
3 A1 1513 40 A1 1473  
4 A1 1443 -18 A1 1461  
5 A1 1301 -41 A1 1342  
6 A1 1010 -124 A1 1134  
7 A1 860 -158 A1 1018  
8 A1 777 -131 A1 908  
9 A2 2972 -28 A2 3000  
10 A2 1211 -72 A2 1283  
11 A2 1088 -97 A2 1185  
12 A2 845 -141 A2 986  
13 B1 3059 52 B1 3007  
14 B1 2973 33 B1 2940  
15 B1 1147 -78 B1 1225  
16 B1 1047 -95 B1 1142  
17 B1 735 -101 B1 836  
18 B1 62 -27 B1 90  
19 B2 2922 -44 B2 2966  
20 B2 1480 -28 B2 1508  
21 B2 1243 -215 B2 1458  
22 B2 1216 -147 B2 1363  
23 B2 983 -245 B2 1228  
24 B2 920 -16 B2 936  
The calculated vibrational frequencies were scaled by 0.9836

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.