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Compare vibrational frequencies in CCCBDB for SiH2D2 (silane-d2)

HF/CEP-121G*

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A1 2325 2100   -89 A1   2189  
2 A1 1662 1502   -85 A1   1587  
3 A1 1019 920   -24 A1   944  
4 A1 735 664   -19 A1   683  
5 A2 899 812   -32 A2   844  
6 B1 1682 1520   -663 B1   2183  
7 B1 940 849   106 B1   743  
8 B2 2328 2103   502 B2   1601  
9 B2 810 732   -130 B2   862  
The calculated vibrational frequencies were scaled by 0.9034

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.