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IV.C.1. (XIII.D.1.)

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

B3LYP/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3105 35 A1 3070  
2 A1 1702 -26 A1 1728  
3 A1 1368 8 A1 1360  
4 A1 831 -95 A1 926  
5 A1 468 -82 A1 550  
6 A2 680 -34 A2 714  
7 B1 854 51 B1 803 B1 & B2 switched in 1974sve/kov
8 B1 508 -103 B1 611  
9 B2 3209 55 B2 3154  
10 B2 1191 -111 B2 1302  
11 B2 898 -57 B2 955  
12 B2 391 -47 B2 438  
The calculated vibrational frequencies were scaled by 0.9684

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.