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

Compare vibrational frequencies in CCCBDB for C6H4 (Benzyne)

HF/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3063 -31 A1 3094  
2 A1 3029 -42 A1 3071  
3 A1 1987 127 A1 1860  
4 A1 1447 32 A1 1415  
5 A1 1260 -11 A1 1271  
6 A1 1118 63 A1 1055  
7 A1 978 -32 A1 1010  
8 A1 967 -15 A1 982  
9 A1 603 3 A1 600  
10 A2 988   A2    
11 A2 872   A2    
12 A2 569   A2    
13 A2 399   A2    
14 B1 944 106 B1 838  
15 B1 754 17 B1 737  
16 B1 388 -0 B1 388  
17 B2 3060 -26 B2 3086  
18 B2 3013 -36 B2 3049  
19 B2 1482 31 B2 1451  
20 B2 1388 -6 B2 1394  
21 B2 1233 -74 B2 1307  
22 B2 1088 -6 B2 1094  
23 B2 810 -39 B2 849  
24 B2 284 -188 B2 472  
The calculated vibrational frequencies were scaled by 0.8985

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.