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Compare vibrational frequencies in CCCBDB for CH3ONO (Methyl nitrite)

LSDA/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' 3158 3094   58 A'   3037  
2 A' 2995 2935   -16 A'   2950  
3 A' 1551 1519   -94 A'   1613  
4 A' 1456 1427   -27 A'   1454  
5 A' 1393 1365   -43 A'   1408  
6 A' 1118 1096   -143 A'   1239  
7 A' 958 938   -53 A'   991  
8 A' 813 797   -41 A'   838  
9 A' 559 548   -80 A'   627  
10 A' 322 316   -30 A'   346  
11 A" 3078 3016   25 A"   2991  
12 A" 1438 1408   -30 A"   1438  
13 A" 1110 1087   -55 A"   1143  
14 A" 385 377    A"      
15 A" 89 87   -99 A"   186  
The calculated vibrational frequencies were scaled by 0.9797

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.