Use ChemCompute to perform a calculation on chloromethane $($aka methyl chloride$).$

a$.$ Draw a Lewis structure and use it to draw the molecule in $3$D $($wedge$-$and$-$dash$).$ Does this match the

geometry predicted from MO $($ChemCompute$)?$

b$.$ What are the core orbitals for chlorine? For carbon? Where do they show up in the list of molecular

orbitals? Note their energies.

c$.$ How many electrons are present in total? What is the energy of the HOMO and the LUMO? What is the

difference between them? What wavelength of light would be expected for this transition? What type

of transition is this?

d$.$ What is the predicted bond length of the carbon$-$chlorine bond? Of the carbon$-$hydrogen bond?

$($double click on one atom, then the next atom$)$

e$.$ What is the meaning of the electronic energy? Why is it so big?

f$.$ Predict the bond dissociation energy that involves breaking the carbon$-$chlorine bond only. To do this,

you'll need to perform two additional calculations: chlorine radical and methyl radical. Note that each

of these radicals have one unpaired electron $($see process notes above$).$

g$.$ Predict the Dipole Moment. Also, examine the Electrostatic Potential; what do you notice? Is this what

we should expect?

h$.$ Consider the Degrees of Freedom for this molecule, how many modes of vibration should exist? Identify

all the DoF in the table from ChemCompute. Are there any degeneracies in the vibrational modes? The

literature reference link in the lecture notes can be helpful.

i$.$ Will the vibrational modes be IR active or inactive?

j$.$ Complete the table below.