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

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

LSDA/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3000 41 A1 2959  
2 A1 2900 -30 A1 2930  
3 A1 1469 -4 A1 1473  
4 A1 1435 -26 A1 1461  
5 A1 1279 -63 A1 1342  
6 A1 1009 -125 A1 1134  
7 A1 898 -120 A1 1018  
8 A1 743 -165 A1 908  
9 A2 2984 -16 A2 3000  
10 A2 1148 -135 A2 1283  
11 A2 1041 -144 A2 1185  
12 A2 783 -203 A2 986  
13 B1 3112 105 B1 3007  
14 B1 2986 46 B1 2940  
15 B1 1109 -116 B1 1225  
16 B1 1009 -133 B1 1142  
17 B1 716 -120 B1 836  
18 B1 87 -3 B1 90  
19 B2 2892 -74 B2 2966  
20 B2 1447 -61 B2 1508  
21 B2 1212 -246 B2 1458  
22 B2 1194 -169 B2 1363  
23 B2 1031 -197 B2 1228  
24 B2 934 -2 B2 936  
The calculated vibrational frequencies were scaled by 0.8955

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.