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Compare vibrational frequencies in CCCBDB for C6H6 (Benzene)

MP2=FULL/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 3240 3074   12 A1g   3062  
2 A1g 1015 963   -29 A1g   992  
3 A2g 1367 1297   -29 A2g   1326  
4 A2u 678 643   -30 A2u   673  
5 B1u 3204 3039   -29 B1u   3068  
6 B1u 1009 957   -53 B1u   1010  
7 B2g 903 856   -139 B2g   995  
8 B2g 412 391   -312 B2g   703  
9 B2u 1451 1377   67 B2u   1310  
10 B2u 1173 1112   -38 B2u   1150  
11 E1g 842 799   -50 E1g   849  
12 E1u 3230 3064   1 E1u   3063  
13 E1u 1509 1431   -55 E1u   1486  
14 E1u 1063 1009   -29 E1u   1038  
15 E2g 3215 3049   2 E2g   3047  
16 E2g 1645 1561   -35 E2g   1596  
17 E2g 1199 1137   -41 E2g   1178  
18 E2g 610 579   -27 E2g   606  
19 E2u 908 862   -113 E2u   975  
20 E2u 389 369   -41 E2u   410  
The calculated vibrational frequencies were scaled by 0.9486

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.