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Compare vibrational frequencies in CCCBDB for CH3CCl3 (Ethane, 1,1,1-trichloro-)

HSEh1PBE/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 A1 3101 2949   -2 A1   2951  
2 A1 1440 1369   -17 A1   1386  
3 A1 1109 1055   -20 A1   1075  
4 A1 538 511   -15 A1   526  
5 A1 355 338   -6 A1   344  
6 A2 322 306   92 A2   214  
7 E 3198 3041   27 E   3014  
8 E 1504 1431   -26 E   1457  
9 E 1120 1065   -23 E   1088  
10 E 726 690   -34 E   724  
11 E 352 334   -17 E   351  
12 E 246 234   -5 E   239  
The calculated vibrational frequencies were scaled by 0.951

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.