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Compare vibrational frequencies in CCCBDB for CH2CF2 (Ethene, 1,1-difluoro-)

MP2/CEP-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 3209 3101   31 A1   3070  
2 A1 1703 1646   -82 A1   1728  
3 A1 1429 1381   21 A1   1360  
4 A1 822 794   -132 A1   926  
5 A1 472 456   -94 A1   550  
6 A2 704 680   -34 A2   714  
7 B1 775 749   -54 B1   803 B1 & B2 switched in 1974sve/kov
8 B1 494 477   -134 B1   611  
9 B2 3331 3219   65 B2   3154  
10 B2 1208 1167   -135 B2   1302  
11 B2 925 894   -61 B2   955  
12 B2 394 380   -58 B2   438  
The calculated vibrational frequencies were scaled by 0.9663

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.