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Compare vibrational frequencies in CCCBDB for CH3ONO (Methyl nitrite)

mPW1PW91/6-31G*

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 A' 3181 3017   -20 A'   3037  
2 A' 3087 2927   -23 A'   2950  
3 A' 1817 1723   109 A'   1613  
4 A' 1539 1460   5 A'   1454  
5 A' 1484 1407   -1 A'   1408  
6 A' 1227 1164   -75 A'   1239  
7 A' 1112 1054   63 A'   991  
8 A' 908 861   23 A'   838  
9 A' 637 604   -23 A'   627  
10 A' 383 363   17 A'   346  
11 A" 3181 3017   26 A"   2991  
12 A" 1515 1437   -1 A"   1438  
13 A" 1187 1126   -17 A"   1143  
14 A" 235 223    A"      
15 A" 123 116   -70 A"   186  
The calculated vibrational frequencies were scaled by 0.9483

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.