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Compare vibrational frequencies in CCCBDB for CH3ONO (Methyl nitrite)

B97D3/cc-pVTZ

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' 3101 3058   21 A'   3037  
2 A' 2978 2936   -14 A'   2950  
3 A' 1665 1641   28 A'   1613  
4 A' 1457 1437   -18 A'   1454  
5 A' 1405 1386   -22 A'   1408  
6 A' 1148 1132   -107 A'   1239  
7 A' 952 939   -52 A'   991  
8 A' 820 808   -30 A'   838  
9 A' 507 500   -128 A'   627  
10 A' 326 321   -25 A'   346  
11 A" 3044 3002   11 A"   2991  
12 A" 1445 1425   -13 A"   1438  
13 A" 1127 1111   -32 A"   1143  
14 A" 358 353    A"      
15 A" 155 153   -33 A"   186  
The calculated vibrational frequencies were scaled by 0.986

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.