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

Compare vibrational frequencies in CCCBDB for C6H6 (Benzene)

MP2=FULL/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 3063 1 A1g 3062  
2 A1g 963 -29 A1g 992  
3 A2g 1303 -23 A2g 1326  
4 A2u 639 -34 A2u 673  
5 B1u 3030 -38 B1u 3068  
6 B1u 961 -49 B1u 1010  
7 B2g 827 -168 B2g 995  
8 B2g 389 -314 B2g 703  
9 B2u 1378 68 B2u 1310  
10 B2u 1126 -24 B2u 1150  
11 E1g 785 -64 E1g 849  
12 E1u 3054 -9 E1u 3063  
13 E1u 1438 -48 E1u 1486  
14 E1u 1011 -27 E1u 1038  
15 E2g 3040 -7 E2g 3047  
16 E2g 1564 -32 E2g 1596  
17 E2g 1146 -32 E2g 1178  
18 E2g 582 -24 E2g 606  
19 E2u 824 -151 E2u 975  
20 E2u 371 -39 E2u 410  
The calculated vibrational frequencies were scaled by 0.9471

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.