Compare vibrational frequencies in CCCBDB for SiH- (silicon monohydride anion)
LSDA/6-31G**
17 05 22 16 49
Frequency in cm-1
|
Calculated |
  |
Experimental |
Mode Number |
Symmetry |
Frequency |
diff |
Symmetry |
Frequency |
Comment |
1 |
Σ |
1752 |
-423 |
Σ |
2175 |
|
The calculated vibrational frequencies were scaled by 0.9813
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.