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

Compare vibrational frequencies in CCCBDB for Si2H6 (disilane)

HF/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 2067 -85 A1g 2152  
2 A1g 878 -31 A1g 909  
3 A1g 367 -68 A1g 434  
4 A1u 107 -24 A1u 131  
5 A2u 2052 -102 A2u 2154  
6 A2u 813 -31 A2u 844  
7 Eg 2054 -101 Eg 2155 Eg and Eu modes switched
8 Eg 914 -15 Eg 929  
9 Eg 608 -17 Eg 625  
10 Eu 2062 -117 Eu 2179 Eg and Eu modes switched
11 Eu 926 -14 Eu 940  
12 Eu 375 -4 Eu 379  
The calculated vibrational frequencies were scaled by 0.9004

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.