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

CCSD(T)/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 3083 2966   15 A1   2951  
2 A1 1461 1405   19 A1   1386  
3 A1 1122 1079   4 A1   1075  
4 A1 538 517   -9 A1   526  
5 A1 358 344   0 A1   344  
6 A2 320 308   94 A2   214  
7 E 3177 3056   42 E   3014  
8 E 1522 1464   7 E   1457  
9 E 1140 1097   9 E   1088  
10 E 755 727   3 E   724  
11 E 354 341   -10 E   351  
12 E 251 241   2 E   239  
The calculated vibrational frequencies were scaled by 0.9621

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.