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Compare vibrational frequencies in CCCBDB for C6H4O2 (parabenzoquinone)

MP2/6-31+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       -3062 Ag   3062  
2       -1686 Ag   1686  
3       -1667 Ag   1667  
4       -1147 Ag   1147  
5       -770 Ag   770  
6       -443 Ag   443  
7        Au      
8        Au      
9       -745 B1g   745 B2G in ref
10       -3062 B1u   3062 B2G in ref
11       -1668 B1u   1668 B2G in ref
12       -1354 B1u   1354 B2G in ref
13       -944 B1u   944 B2G in ref
14       -728 B1u   728 B2G in ref
15       -998 B2g   998 B3G in ref
16       -794 B2g   794 B3G in ref
17       -241 B2g   241 B3G in ref
18       -3062 B2u   3062 B3U in ref
19       -1592 B2u   1592 B3U in ref
20       -1299 B2u   1299 B3U in ref
21       -1066 B2u   1066 B3U in ref
22       -408 B2u   408 B3U in ref
23       -3044 B3g   3044 B1G in ref
24       -1374 B3g   1374 B1G in ref
25       -1211 B3g   1211 B1G in ref
26       -600 B3g   600 B1G in ref
27       -476 B3g   476 B1G in ref
28       -882 B3u   882 B1U in ref
29       -505 B3u   505 B1U in ref
30       -109 B3u   109 B1U in ref
The calculated vibrational frequencies were scaled by 0.9406

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.