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

MP2/6-311G*

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 3102 2948   -3 A1   2951  
2 A1 1460 1388   2 A1   1386  
3 A1 1126 1070   -5 A1   1075  
4 A1 545 518   -8 A1   526  
5 A1 363 345   1 A1   344  
6 A2 347 330   116 A2   214  
7 E 3207 3048   34 E   3014  
8 E 1513 1437   -20 E   1457  
9 E 1141 1084   -4 E   1088  
10 E 767 729   5 E   724  
11 E 361 343   -8 E   351  
12 E 257 244   5 E   239  
The calculated vibrational frequencies were scaled by 0.9503

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.