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Compare vibrational frequencies in CCCBDB for HCOOH (Formic acid)

BLYP/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' 3464 3205   -365 A'   3570  
2 A' 3111 2878   -65 A'   2943  
3 A' 1785 1652   -118 A'   1770  
4 A' 1422 1316   -71 A'   1387  
5 A' 1335 1235   6 A'   1229  
6 A' 1043 965   -140 A'   1105  
7 A' 520 481   -144 A'   625  
8 A" 926 857   -176 A"   1033  
9 A" 663 614   -24 A"   638  
The calculated vibrational frequencies were scaled by 0.9252

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.