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Compare vibrational frequencies for two calculations for C4H3ClO (Furan,3-chloro)


A = HF/6-31G*
B = MP2/6-31G*

scale factors=0.8985, 0.943

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/comp2vib3x.asp, line 243

  symmetry   frequency (cm-1)   reduced mass (amu)   IR Intensity (km mol-1)
mode number A B   A B diff. ratio   A B diff. ratio   A B diff. ratio
1 A' A'   3141 3157 -16.3 0.995   1.103 1.103 0.000 1.000   0.40 0.96 0.417
2