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

Compare vibrational frequencies in CCCBDB for GeH3CH3 (methyl germane)

CCSD(T)/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 ?a 2156 -782 A1 2938  
2 ?a 2156 71 A1 2085  
3 ?a 2152 898 A1 1254  
4 ?a 605 -238 A1 843  
5 ?a 482 -120 A1 602  
6 ?a 482 325 A2 157  
7 ?b 899 -2098 E 2997  
8 ?b 844 -1240 E 2084  
9 ?b 831 -597 E 1428  
10 A1 1251 351 E 900  
11 E 3057 2209 E 848  
12 E 1434 928 E 506  
The calculated vibrational frequencies were scaled by 0.9748

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.