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

Compare vibrational frequencies in CCCBDB for CH3ONO (Methyl nitrite)

LSDA/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3095 58 A' 3037  
2 A' 2934 -16 A' 2950  
3 A' 1679 66 A' 1613  
4 A' 1371 -83 A' 1454  
5 A' 1315 -93 A' 1408  
6 A' 1101 -137 A' 1239  
7 A' 1011 20 A' 991  
8 A' 865 27 A' 838  
9 A' 642 14 A' 627  
10 A' 359 13 A' 346  
11 A" 3011 20 A" 2991  
12 A" 1341 -97 A" 1438  
13 A" 1076 -67 A" 1143  
14 A" 406   A"    
15 A" 143 -43 A" 186  
The calculated vibrational frequencies were scaled by 0.989

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.