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

B97D3/6-31+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 A1 2986 2934   25 A1   2909  
2 A1 1415 1391   10 A1   1381  
3 A1 718 706   -27 A1   733  
4 A2 244 240   42 A2   198  
5 E 3054 3002   47 E   2955  
6 E 1471 1446   -5 E   1451  
7 E 1076 1057   58 E   999  
8 E 337 331   -4 E   335  
9 T1 3053 3001   26 T1   2975  
10 T1 1464 1439   -22 T1   1461  
11 T1 950 934   2 T1   932  
12 T1 318 313   110 T1   203  
13 T2 3059 3006   47 T2   2959  
14 T2 2976 2925   49 T2   2876  
15 T2 1502 1476   1 T2   1475  
16 T2 1374 1350   -22 T2   1372  
17 T2 1250 1228   -28 T2   1256  
18 T2 918 903   -22 T2   925  
19 T2 425 417   -1 T2   418  
The calculated vibrational frequencies were scaled by 0.9828

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.