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Compare vibrational frequencies in CCCBDB for C6H6 (Benzene)

QCISD/6-31+G**

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 3269 3090   28 A1g   3062  
2 A1g 1024 968   -24 A1g   992  
3 A2g 1403 1327   1 A2g   1326  
4 A2u 685 647   -26 A2u   673  
5 B1u 3232 3056   -12 B1u   3068  
6 B1u 1018 962   -48 B1u   1010  
7 B2g 903 854   -141 B2g   995  
8 B2g 428 404   -299 B2g   703  
9 B2u 1329 1257   -53 B2u   1310  
10 B2u 1185 1120   -30 B2u   1150  
11 E1g 852 806   -43 E1g   849  
12 E1u 3258 3080   17 E1u   3063  
13 E1u 1546 1461   -25 E1u   1486  
14 E1u 1079 1020   -18 E1u   1038  
15 E2g 3242 3065   18 E2g   3047  
16 E2g 1682 1590   -6 E2g   1596  
17 E2g 1222 1155   -23 E2g   1178  
18 E2g 621 587   -19 E2g   606  
19 E2u 931 880   -95 E2u   975  
20 E2u 388 367   -43 E2u   410  
The calculated vibrational frequencies were scaled by 0.9454

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.