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Compare vibrational frequencies in CCCBDB for H2O2 (Hydrogen peroxide)

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 3451 3283   -316 A   3599  
2 A 1469 1398   -4 A   1402  
3 A 952 906   29 A   877  
4 A 152 144   -227 A   371  
5 B 3474 3305   -303 B   3608  
6 B 1163 1106   -160 B   1266  
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.