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Compare vibrational frequencies in CCCBDB for C6H6 (Benzene)

MP2=FULL/6-31G**

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 3286 3071   9 A1g   3062  
2 A1g 1029 962   -30 A1g   992  
3 A2g 1398 1306   -20 A2g   1326  
4 A2u 693 648   -25 A2u   673  
5 B1u 3251 3038   -30 B1u   3068  
6 B1u 1023 955   -55 B1u   1010  
7 B2g 926 865   -130 B2g   995  
8 B2g 521 487   -216 B2g   703  
9 B2u 1469 1373   63 B2u   1310  
10 B2u 1203 1124   -26 B2u   1150  
11 E1g 859 802   -47 E1g   849  
12 E1u 3276 3061   -2 E1u   3063  
13 E1u 1544 1443   -43 E1u   1486  
14 E1u 1084 1012   -26 E1u   1038  
15 E2g 3261 3047   0 E2g   3047  
16 E2g 1678 1568   -28 E2g   1596  
17 E2g 1226 1146   -32 E2g   1178  
18 E2g 620 579   -27 E2g   606  
19 E2u 924 863   -112 E2u   975  
20 E2u 398 372   -38 E2u   410  
The calculated vibrational frequencies were scaled by 0.9344

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.