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

Compare vibrational frequencies in CCCBDB for CH2F2 (Methane, difluoro-)

PM3

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -2948 A1 2948  
2   -1508 A1 1508  
3   -1111 A1 1111 intensity of bands 3, 7 and 9 together 333.8
4   -529 A1 529  
5   -1262 A2 1262  
6   -3014 B1 3014  
7   -1178 B1 1178 intensity of bands 3, 7 and 9 together 333.8
8   -1435 B2 1435  
9   -1090 B2 1090 intensity of bands 3, 7 and 9 together 333.8
The calculated vibrational frequencies were scaled by 0.974

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.