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

Compare vibrational frequencies in CCCBDB for Si2H6 (disilane)

PBEPBE/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 2359 207 A1g 2152  
2 A1g 965 56 A1g 909  
3 A1g 499 65 A1g 434  
4 A1u 77 -54 A1u 131  
5 A2u 2360 206 A2u 2154  
6 A2u 892 49 A2u 844  
7 Eg 2406 251 Eg 2155 Eg and Eu modes switched
8 Eg 998 69 Eg 929  
9 Eg 655 29 Eg 625  
10 Eu 2413 234 Eu 2179 Eg and Eu modes switched
11 Eu 1004 65 Eu 940  
12 Eu 440 61 Eu 379  
The calculated vibrational frequencies were scaled by 0.9136

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.