CL3 \ C1 - CL2 / CL4
The multiplicity is 2.

Atomic Charges and Dipole Moment

C1 charge=-0.147
CL2 charge= 0.048
CL3 charge= 0.048
CL4 charge= 0.049
with a dipole moment of 0.00680 Debye

Bond Lengths:

between C1 and CL2: distance=1.722 ang___ between C1 and CL3: distance=1.722 ang___
between C1 and CL4: distance=1.721 ang___

Bond Angles:

for CL3-C1-CL2: angle=119.9 deg___ for CL4-C1-CL2: angle=120.0 deg___

Bond Orders (Mulliken):

between C1 and CL2: order=0.952___ between C1 and CL3: order=0.952___
between C1 and CL4: order=0.952___

Best Lewis Structure

The Lewis structure that is closest to your structure is determined. The hybridization of the atoms in this idealized Lewis structure is given in the table below. The Lewis structure is built for the up and down electrons, separately. Note that the up and down structures can be very different.

Hybridization in the Best Lewis Structure

Down Electrons

1. A bonding orbital for C1-Cl2 with 0.9944 electrons
__has 52.08% C 1 character in a sp1.99 hybrid
__has 47.92% Cl 2 character in a s0.49 p3 hybrid

2. A bonding orbital for C1-Cl3 with 0.9944 electrons
__has 52.07% C 1 character in a sp1.99 hybrid
__has 47.93% Cl 3 character in a s0.49 p3 hybrid

3. A bonding orbital for C1-Cl4 with 0.9944 electrons
__has 52.07% C 1 character in a sp1.99 hybrid
__has 47.93% Cl 4 character in a s0.49 p3 hybrid

20. A lone pair orbital for C1 with 0.9915 electrons
__made from a p-pi orbital (100.00% p)

21. A lone pair orbital for Cl2 with 0.9991 electrons

22. A lone pair orbital for Cl2 with 0.9937 electrons

23. A lone pair orbital for Cl2 with 0.9788 electrons
__made from a p-pi orbital ( 99.97% p)

24. A lone pair orbital for Cl3 with 0.9991 electrons

25. A lone pair orbital for Cl3 with 0.9937 electrons

26. A lone pair orbital for Cl3 with 0.9788 electrons
__made from a p-pi orbital ( 99.97% p)

27. A lone pair orbital for Cl4 with 0.9991 electrons

28. A lone pair orbital for Cl4 with 0.9937 electrons

29. A lone pair orbital for Cl4 with 0.9788 electrons
__made from a p-pi orbital ( 99.97% p)

-With core pairs on: C 1 Cl 2 Cl 2 Cl 2 Cl 2 Cl 2 Cl 3 Cl 3 Cl 3 Cl 3 Cl 3 Cl 4 Cl 4 Cl 4 Cl 4 Cl 4 -

Up Electrons

1. A bonding orbital for C1-Cl2 with 0.9972 electrons
__has 44.74% C 1 character in a sp2.00 hybrid
__has 55.26% Cl 2 character in a s0.63 p3 hybrid

2. A bonding orbital for C1-Cl3 with 0.9972 electrons
__has 44.73% C 1 character in a sp2.00 hybrid
__has 55.27% Cl 3 character in a s0.63 p3 hybrid

3. A bonding orbital for C1-Cl4 with 0.9972 electrons
__has 44.75% C 1 character in a sp1.99 hybrid
__has 55.25% Cl 4 character in a s0.63 p3 hybrid

20. A lone pair orbital for C1 with 0.1793 electrons
__made from a p-pi orbital (100.00% p)

21. A lone pair orbital for Cl2 with 0.9948 electrons

22. A lone pair orbital for Cl2 with 0.9776 electrons
__made from a p-pi orbital ( 99.95% p)

23. A lone pair orbital for Cl2 with 0.9395 electrons
__made from a p-pi orbital ( 99.88% p 0.12% d)

24. A lone pair orbital for Cl3 with 0.9948 electrons

25. A lone pair orbital for Cl3 with 0.9776 electrons
__made from a p-pi orbital ( 99.95% p)

26. A lone pair orbital for Cl3 with 0.9395 electrons
__made from a p-pi orbital ( 99.88% p 0.12% d)

27. A lone pair orbital for Cl4 with 0.9948 electrons

28. A lone pair orbital for Cl4 with 0.9775 electrons
__made from a p-pi orbital ( 99.95% p)

29. A lone pair orbital for Cl4 with 0.9394 electrons
__made from a p-pi orbital ( 99.88% p 0.12% d)

-With core pairs on: C 1 Cl 2 Cl 2 Cl 2 Cl 2 Cl 2 Cl 3 Cl 3 Cl 3 Cl 3 Cl 3 Cl 4 Cl 4 Cl 4 Cl 4 Cl 4 -

Donor Acceptor Interactions in the Best Lewis Structure

The localized orbitals in your best Lewis structure can interact strongly. A filled bonding or lone pair orbital can act as a donor and an empty or filled bonding, antibonding, or lone pair orbital can act as an acceptor. These interactions can strengthen and weaken bonds. For example, a lone pair donor->antibonding acceptor orbital interaction will weaken the bond associated with the antibonding orbital. Conversly, an interaction with a bonding pair as the acceptor will strengthen the bond. Strong electron delocalization in your best Lewis structure will also show up as donor-acceptor interactions.
Interactions greater than 20 kJ/mol for bonding and lone pair orbitals are listed below.

The interaction of the second lone pair donor orbital, 22, for Cl2 with the antibonding acceptor orbital, 116, for C1-Cl3 is 22.9 kJ/mol.

The interaction of the second lone pair donor orbital, 22, for Cl2 with the antibonding acceptor orbital, 117, for C1-Cl4 is 23.0 kJ/mol.

The interaction of the third lone pair donor orbital, 23, for Cl2 with the lone pair acceptor orbital, 20, for C1 is 111. kJ/mol.

The interaction of the second lone pair donor orbital, 25, for Cl3 with the antibonding acceptor orbital, 115, for C1-Cl2 is 22.9 kJ/mol.

The interaction of the second lone pair donor orbital, 25, for Cl3 with the antibonding acceptor orbital, 117, for C1-Cl4 is 22.9 kJ/mol.

The interaction of the third lone pair donor orbital, 26, for Cl3 with the lone pair acceptor orbital, 20, for C1 is 111. kJ/mol.

The interaction of the second lone pair donor orbital, 28, for Cl4 with the antibonding acceptor orbital, 115, for C1-Cl2 is 23.0 kJ/mol.

The interaction of the second lone pair donor orbital, 28, for Cl4 with the antibonding acceptor orbital, 116, for C1-Cl3 is 23.0 kJ/mol.

The interaction of the third lone pair donor orbital, 29, for Cl4 with the lone pair acceptor orbital, 20, for C1 is 111. kJ/mol.

Molecular Orbital Energies

The orbital energies are given in eV, where 1 eV=96.49 kJ/mol. Orbitals with very low energy are core 1s orbitals. More antibonding orbitals than you might expect are sometimes listed, because d orbitals are always included for heavy atoms and p orbitals are included for H atoms. Up spins are shown with a ^ and down spins are shown as v. Only the spin up electron orbital energies are given.

33 ----- 3.750

32 ----- 0.033 31 ----- 0.027

30 ----- -2.497

29 -^--- -4.687

28 -^-v- -7.974

27 -^-v- -8.706 26 -^-v- -8.709

25 -^-v- -8.971 24 -^-v- -8.973

23 -^-v- -11.08

22 -^-v- -12.57 21 -^-v- -12.57

20 -^-v- -15.43

19 -^-v- -21.67 18 -^-v- -21.68

17 -^-v- -24.02

16 -^-v- -191.3 15 -^-v- -191.3 14 -^-v- -191.3 13 -^-v- -191.3 12 -^-v- -191.3 11 -^-v- -191.3

10 -^-v- -191.7 9 -^-v- -191.7 8 -^-v- -191.7

7 -^-v- -249.7 6 -^-v- -249.7 5 -^-v- -249.7

4 -^-v- -270.9

3 -^-v- -2730. 2 -^-v- -2730. 1 -^-v- -2730.

Total Electronic Energy

The total electronic energy is a very large number, so by convention the units are given in atomic units, that is Hartrees (H). One Hartree is 2625.5 kJ/mol. The energy reference is for totally dissociated atoms. In other words, the reference state is a gas consisting of nuclei and electrons all at infinite distance from each other. The electronic energy includes all electric interactions and the kinetic energy of the electrons. This energy does not include translation, rotation, or vibration of the the molecule.

Total electronic energy = -1418.7794096108 Hartrees