return to home page

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

Compare vibrational frequencies in CCCBDB for CH2SiH2 (silaethylene)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
2   -2219 A1 2219 SiH2 sym stretch
3   -1350 A1 1350 CH2 scissors
4   -985 A1 985 Si=C stretch
5   -927 A1 927 SiH2 scissors
7   -741 B1 741 CH2 wag
10   -2239 B2 2239 SiH2 asym stretch
11   -817 B2 817 CH2 rock
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.