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Compare vibrational frequencies in CCCBDB for ONONO (Nitrosyl nitrite)

LSDA/STO-3G

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 1675 1500   -240 A1   1740  
2 A1 1132 1013   40 A1   974  
3 A1 463 415   20 A1   395  
4 A1 215 193           
5 A2 209 187   -23 A2   210  
6 B1 118 106   -34 B1   140  
7 B2 1632 1462   -236 B2   1697  
8 B2 852 763   58 B2   705  
9 B2 619 555   175 B2   380  
The calculated vibrational frequencies were scaled by 0.8955

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.