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

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

MP2/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3034 86 A1 2948  
2 A1 1476 -32 A1 1508  
3 A1 955 -156 A1 1111 intensity of bands 3, 7 and 9 together 333.8
4 A1 436 -93 A1 529  
5 A2 1167 -95 A2 1262  
6 B1 3147 133 B1 3014  
7 B1 1084 -94 B1 1178 intensity of bands 3, 7 and 9 together 333.8
8 B2 1388 -47 B2 1435  
9 B2 954 -136 B2 1090 intensity of bands 3, 7 and 9 together 333.8
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.