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

Compare vibrational frequencies in CCCBDB for ONONO (Nitrosyl nitrite)

B3PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1507 -233 A1 1740  
2 A1 1028 54 A1 974  
3 A1 429 34 A1 395  
4 A1 212        
5 A2 179 -31 A2 210  
6 B1 111 -29 B1 140  
7 B2 1467 -230 B2 1697  
8 B2 791 86 B2 705  
9 B2 575 195 B2 380  
The calculated vibrational frequencies were scaled by 0.885

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.