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

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

PBEPBE/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2740 -208 A1 2948  
2 A1 1461 -47 A1 1508  
3 A1 1021 -90 A1 1111 intensity of bands 3, 7 and 9 together 333.8
4 A1 438 -90 A1 529  
5 A2 1127 -135 A2 1262  
6 B1 2804 -210 B1 3014  
7 B1 1021 -157 B1 1178 intensity of bands 3, 7 and 9 together 333.8
8 B2 1357 -78 B2 1435  
9 B2 1057 -33 B2 1090 intensity of bands 3, 7 and 9 together 333.8
The calculated vibrational frequencies were scaled by 0.9136

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.