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

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

MP2/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3092 22 A1 3070  
2 A1 1642 -86 A1 1728  
3 A1 1396 36 A1 1360  
4 A1 798 -128 A1 926  
5 A1 458 -92 A1 550  
6 A2 697 -17 A2 714  
7 B1 821 18 B1 803 B1 & B2 switched in 1974sve/kov
8 B1 523 -88 B1 611  
9 B2 3217 63 B2 3154  
10 B2 1176 -126 B2 1302  
11 B2 902 -53 B2 955  
12 B2 392 -46 B2 438  
The calculated vibrational frequencies were scaled by 0.9631

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.