Question: (a) Do an HF/6-31G* calculation to find the predicted harmonic vibrational wavenumbers of CH2==CHCl using a program that can show animations of vibrational modes. Examine
(b) Multiply the wavenumbers found in (a) by the scale factor 0.895 to give estimates of the fundamental frequencies and compare with the experimental fundamental frequencies, which can be found in the CCCBDB.
(c) Use the wavenumbers found in (b) to estimate the zero-point energy of this molecule.
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a 1842 cm 1 for CC stretching 776 cm 1 for CCl stre... View full answer
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