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Compare vibrational frequencies in CCCBDB for C5H12 (Propane, 2,2-dimethyl-)

BLYP/6-31G(2df,p)

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 A1 2958 2942   33 A1   2909  
2 A1 1404 1396   15 A1   1381  
3 A1 705 701   -32 A1   733  
4 A2 233 232   34 A2   198  
5 E 3013 2997   42 E   2955  
6 E 1458 1449   -2 E   1451  
7 E 1068 1062   63 E   999  
8 E 325 323   -12 E   335  
9 T1 3012 2995   20 T1   2975  
10 T1 1450 1442   -19 T1   1461  
11 T1 941 935   3 T1   932  
12 T1 301 300   97 T1   203  
13 T2 3018 3002   43 T2   2959  
14 T2 2949 2932   56 T2   2876  
15 T2 1486 1478   3 T2   1475  
16 T2 1362 1355   -17 T2   1372  
17 T2 1233 1226   -30 T2   1256  
18 T2 900 895   -30 T2   925  
19 T2 410 408   -10 T2   418  
The calculated vibrational frequencies were scaled by 0.9945

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.