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Compare vibrational frequencies in CCCBDB for CH3OCHO (methyl formate)

PBEPBE/STO-3G

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' 3395 3102   57 A'   3045  
2 A' 3196 2920   -49 A'   2969  
3 A' 3146 2875   -68 A'   2943  
4 A' 1816 1659   -95 A'   1754  
5 A' 1606 1467   13 A'   1454  
6 A' 1507 1377   -68 A'   1445  
7 A' 1386 1267   -104 A'   1371  
8 A' 1178 1076   -131 A'   1207  
9 A' 1158 1058   -108 A'   1166  
10 A' 951 868   -57 A'   925  
11 A' 705 644   -123 A'   767  
12 A' 284 259   -59 A'   318  
13 A" 3350 3060   48 A"   3012  
14 A" 1588 1451   8 A"   1443  
15 A" 1140 1041   -127 A"   1168  
16 A" 896 819   -213 A"   1032  
17 A" 337 308   -24 A"   332  
18 A" 62 57   -73 A"   130  
The calculated vibrational frequencies were scaled by 0.9136

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.