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

Compare vibrational frequencies in CCCBDB for Si2H6 (disilane)

B3LYP/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 2085 -67 A1g 2152  
2 A1g 855 -54 A1g 909  
3 A1g 407 -27 A1g 434  
4 A1u 106 -25 A1u 131  
5 A2u 2077 -78 A2u 2154  
6 A2u 789 -55 A2u 844  
7 Eg 2102 -53 Eg 2155 Eg and Eu modes switched
8 Eg 887 -43 Eg 929  
9 Eg 599 -27 Eg 625  
10 Eu 2113 -65 Eu 2179 Eg and Eu modes switched
11 Eu 896 -44 Eu 940  
12 Eu 373 -6 Eu 379  
The calculated vibrational frequencies were scaled by 0.9745

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.