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

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

DREIDING

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -3070 A1 3070  
2   -1728 A1 1728  
3   -1360 A1 1360  
4   -926 A1 926  
5   -550 A1 550  
6   -714 A2 714  
7   -803 B1 803 B1 & B2 switched in 1974sve/kov
8   -611 B1 611  
9   -3154 B2 3154  
10   -1302 B2 1302  
11   -955 B2 955  
12   -438 B2 438  
The calculated vibrational frequencies were scaled by 0.936

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.