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

Compare vibrational frequencies in CCCBDB for C4H8 (cyclobutane)

HF/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2960 9 A1 2951  
2 A1 2934 72 A1 2862  
3 A1 1506 38 A1 1468  
4 A1 1143 -10 A1 1153  
5 A1 922 -82 A1 1004  
6 A1 153 -46 A1 199  
7 A2 1274 14 A2 1260  
8 A2 978 37 A2 941  
9 B1 1252 21 B1 1231  
10 B1 1160 18 B1 1142  
11 B1 872 -56 B1 928  
12 B2 2991 18 B2 2973  
13 B2 2922 -12 B2 2934  
14 B2 1476 37 B2 1440  
15 B2 865 -18 B2 883  
16 B2 627 2 B2 625  
17 E 2973 14 E 2959  
18 E 2925 63 E 2862  
19 E 1475 34 E 1441  
20 E 1281 29 E 1252  
21 E 1232 15 E 1217  
22 E 843 -50 E 893  
23 E 727 -18 E 746  
The calculated vibrational frequencies were scaled by 0.9026

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.