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Compare vibrational frequencies in CCCBDB for CH3OCHO (methyl formate)

MP2/3-21G*

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' 3229 3072   27 A'   3045  
2 A' 3124 2972   3 A'   2969  
3 A' 3108 2957   14 A'   2943  
4 A' 1678 1596   -158 A'   1754  
5 A' 1601 1523   69 A'   1454  
6 A' 1517 1443   -2 A'   1445  
7 A' 1439 1369   -2 A'   1371  
8 A' 1208 1149   -58 A'   1207  
9 A' 1160 1103   -63 A'   1166  
10 A' 897 854   -71 A'   925  
11 A' 755 718   -49 A'   767  
12 A' 289 275   -43 A'   318  
13 A" 3181 3026   14 A"   3012  
14 A" 1589 1512   69 A"   1443  
15 A" 1192 1134   -34 A"   1168  
16 A" 1054 1003   -29 A"   1032  
17 A" 331 315   -17 A"   332  
18 A" 92 87   -43 A"   130  
The calculated vibrational frequencies were scaled by 0.9513

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.