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Compare vibrational frequencies in CCCBDB for C6H6 (Benzene)

MP2/6-311G*

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A1g 3231 3071   9 A1g   3062  
2 A1g 1014 963   -29 A1g   992  
3 A2g 1374 1306   -20 A2g   1326  
4 A2u 673 639   -34 A2u   673  
5 B1u 3196 3037   -31 B1u   3068  
6 B1u 1013 963   -47 B1u   1010  
7 B2g 870 827   -168 B2g   995  
8 B2g 399 379   -324 B2g   703  
9 B2u 1450 1378   68 B2u   1310  
10 B2u 1187 1128   -22 B2u   1150  
11 E1g 826 785   -64 E1g   849  
12 E1u 3222 3062   -1 E1u   3063  
13 E1u 1516 1440   -46 E1u   1486  
14 E1u 1065 1012   -26 E1u   1038  
15 E2g 3206 3047   0 E2g   3047  
16 E2g 1646 1565   -31 E2g   1596  
17 E2g 1208 1148   -30 E2g   1178  
18 E2g 613 583   -23 E2g   606  
19 E2u 866 822   -153 E2u   975  
20 E2u 390 370   -40 E2u   410  
The calculated vibrational frequencies were scaled by 0.9503

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.