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Compare vibrational frequencies in CCCBDB for CH3ONO (Methyl nitrite)

B3PW91/6-31G*

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' 3157 3020   -17 A'   3037  
2 A' 3065 2932   -18 A'   2950  
3 A' 1798 1720   107 A'   1613  
4 A' 1530 1464   9 A'   1454  
5 A' 1474 1410   2 A'   1408  
6 A' 1216 1163   -75 A'   1239  
7 A' 1096 1049   58 A'   991  
8 A' 883 845   7 A'   838  
9 A' 615 589   -38 A'   627  
10 A' 376 360   14 A'   346  
11 A" 3156 3020   29 A"   2991  
12 A" 1506 1441   3 A"   1438  
13 A" 1179 1128   -15 A"   1143  
14 A" 233 223    A"      
15 A" 128 122   -64 A"   186  
The calculated vibrational frequencies were scaled by 0.9567

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.