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

Compare vibrational frequencies in CCCBDB for Si2H6 (disilane)

B3LYP/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 2058 -94 A1g 2152  
2 A1g 842 -67 A1g 909  
3 A1g 403 -32 A1g 434  
4 A1u 102 -29 A1u 131  
5 A2u 2049 -105 A2u 2154  
6 A2u 775 -69 A2u 844  
7 Eg 2078 -77 Eg 2155 Eg and Eu modes switched
8 Eg 882 -48 Eg 929  
9 Eg 595 -30 Eg 625  
10 Eu 2092 -87 Eu 2179 Eg and Eu modes switched
11 Eu 891 -49 Eu 940  
12 Eu 368 -11 Eu 379  
The calculated vibrational frequencies were scaled by 0.9684

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.