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

Compare vibrational frequencies in CCCBDB for C6H6 (Benzene)

MP2/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 3073 11 A1g 3062  
2 A1g 962 -30 A1g 992  
3 A2g 1299 -27 A2g 1326  
4 A2u 642 -31 A2u 673  
5 B1u 3039 -29 B1u 3068  
6 B1u 957 -53 B1u 1010  
7 B2g 854 -141 B2g 995  
8 B2g 374 -329 B2g 703  
9 B2u 1374 64 B2u 1310  
10 B2u 1114 -36 B2u 1150  
11 E1g 797 -52 E1g 849  
12 E1u 3064 1 E1u 3063  
13 E1u 1432 -54 E1u 1486  
14 E1u 1008 -30 E1u 1038  
15 E2g 3049 2 E2g 3047  
16 E2g 1559 -37 E2g 1596  
17 E2g 1138 -40 E2g 1178  
18 E2g 579 -27 E2g 606  
19 E2u 858 -117 E2u 975  
20 E2u 368 -42 E2u 410  
The calculated vibrational frequencies were scaled by 0.9502

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.