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

Compare vibrational frequencies in CCCBDB for GeH3CH3 (methyl germane)

QCISD(T)/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 ?a 2098 -840 A1 2938  
2 ?a 2098 13 A1 2085  
3 ?a 2094 840 A1 1254  
4 ?a 589 -254 A1 843  
5 ?a 469 -133 A1 602  
6 ?a 469 312 A2 157  
7 ?b 875 -2122 E 2997  
8 ?b 821 -1263 E 2084  
9 ?b 809 -619 E 1428  
10 A1 1217 317 E 900  
11 E 2974 2126 E 848  
12 E 1395 889 E 506  
The calculated vibrational frequencies were scaled by 0.9486

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.