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Compare vibrational frequencies in CCCBDB for CH3OCHO (methyl formate)

CISD/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' 3295 3050   5 A'   3045  
2 A' 3163 2928   -41 A'   2969  
3 A' 3124 2892   -51 A'   2943  
4 A' 1969 1823   69 A'   1754  
5 A' 1591 1473   19 A'   1454  
6 A' 1570 1454   9 A'   1445  
7 A' 1511 1399   28 A'   1371  
8 A' 1335 1236   29 A'   1207  
9 A' 1217 1126   -40 A'   1166  
10 A' 1109 1026   101 A'   925  
11 A' 664 615   -152 A'   767  
12 A' 362 335   17 A'   318  
13 A" 3240 2999   -13 A"   3012  
14 A" 1591 1473   30 A"   1443  
15 A" 1238 1146   -22 A"   1168  
16 A" 1109 1027   -5 A"   1032  
17 A" 175 162   -170 A"   332  
18 A" 60 56   -74 A"   130  
The calculated vibrational frequencies were scaled by 0.9258

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.