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

B1B95/6-31G

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 2201 2099   -90 A1   2189  
2 A1 1573 1500   -87 A1   1587  
3 A1 915 873   -71 A1   944  
4 A1 652 621   -62 A1   683  
5 A2 830 791   -53 A2   844  
6 B1 1600 1526   -657 B1   2183  
7 B1 809 772   29 B1   743  
8 B2 2215 2112   511 B2   1601  
9 B2 697 665   -197 B2   862  
The calculated vibrational frequencies were scaled by 0.9537

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.