
Tell me about the atomic charges, dipole moment,
bond lengths,
angles,
bond orders,
molecular orbital energies,
or total energy.
Tell me about the best Lewis structure.
The Lewis structure is built for the up and down electrons,
separately. Note that the up and down structures can be very
different.
1. A bonding orbital for C1C2 with 0.9961 electrons
__has 49.97% C 1 character in a sp1.65 hybrid
__has 50.03% C 2 character in a sp1.58 hybrid
2. A bonding orbital for C1C5 with 0.9963 electrons
__has 47.98% C 1 character in a sp1.85 hybrid
__has 52.02% C 5 character in a sp1.37 hybrid
3. A bonding orbital for C1H8 with 0.9857 electrons
__has 58.39% C 1 character in a sp2.63 hybrid
__has 41.61% H 8 character in a s orbital
4. A bonding orbital for C2H3 with 0.9943 electrons
__has 60.91% C 2 character in a sp2.25 hybrid
__has 39.09% H 3 character in a s orbital
5. A bonding orbital for C2H4 with 0.9942 electrons
__has 61.25% C 2 character in a sp2.23 hybrid
__has 38.75% H 4 character in a s orbital
6. A bonding orbital for C5Cl6 with 0.9955 electrons
__has 45.93% C 5 character in a sp2.97 hybrid
__has 54.07% Cl 6 character in a s0.59 p3 hybrid
7. A bonding orbital for C5H7 with 0.9933 electrons
__has 62.49% C 5 character in a sp2.04 hybrid
__has 37.51% H 7 character in a s orbital
16. A lone pair orbital for C1 with 0.2887 electrons
__made from a ppi orbital ( 99.94% p 0.06% d)
17. A lone pair orbital for C2 with 0.8432 electrons
__made from a ppi orbital ( 99.97% p)
18. A lone pair orbital for C5 with 0.8674 electrons
__made from a ppi orbital ( 99.99% p)
19. A lone pair orbital for Cl6 with 0.9974 electrons
__made from a sp0.20 hybrid
20. A lone pair orbital for Cl6 with 0.9932 electrons
__made from a ppi orbital (100.00% p)
21. A lone pair orbital for Cl6 with 0.9880 electrons
__made from a p3 hybrid
With core pairs on: C 1 C 2 C 5 Cl 6 Cl 6 Cl 6 Cl 6 Cl 6 
1. A bonding orbital for C1C2 with 0.9957 electrons
__has 54.79% C 1 character in a sp1.63 hybrid
__has 45.21% C 2 character in a sp1.64 hybrid
2. A bonding orbital for C1C2 with 0.8677 electrons
__has 84.85% C 1 character in a ppi orbital ( 99.98% p)
__has 15.15% C 2 character in a ppi orbital ( 99.78% p 0.22% d)
3. A bonding orbital for C1C5 with 0.9961 electrons
__has 53.23% C 1 character in a sp1.80 hybrid
__has 46.77% C 5 character in a sp1.44 hybrid
4. A bonding orbital for C1H8 with 0.9854 electrons
__has 61.40% C 1 character in a sp2.76 hybrid
__has 38.60% H 8 character in a s orbital
5. A bonding orbital for C2H3 with 0.9951 electrons
__has 56.64% C 2 character in a sp2.22 hybrid
__has 43.36% H 3 character in a s orbital
6. A bonding orbital for C2H4 with 0.9947 electrons
__has 57.12% C 2 character in a sp2.19 hybrid
__has 42.88% H 4 character in a s orbital
7. A bonding orbital for C5Cl6 with 0.9964 electrons
__has 41.17% C 5 character in a sp2.84 hybrid
__has 58.83% Cl 6 character in a s0.69 p3 hybrid
8. A bonding orbital for C5H7 with 0.9943 electrons
__has 57.82% C 5 character in a sp2.02 hybrid
__has 42.18% H 7 character in a s orbital
17. A lone pair orbital for C5 with 0.1789 electrons
__made from a ppi orbital ( 99.87% p 0.13% d)
18. A lone pair orbital for Cl6 with 0.9976 electrons
__made from a sp0.23 hybrid
19. A lone pair orbital for Cl6 with 0.9870 electrons
__made from a p3 hybrid
20. A lone pair orbital for Cl6 with 0.9518 electrons
__made from a ppi orbital ( 99.92% p 0.08% d)
With core pairs on: C 1 C 2 C 5 Cl 6 Cl 6 Cl 6 Cl 6 Cl 6 
The interaction of the second bonding donor orbital, 2, for C1C2 with the lone pair acceptor orbital, 17, for C5 is 263. kJ/mol.
The interaction of the third lone pair donor orbital, 20, for Cl6 with the lone pair acceptor orbital, 17, for C5 is 88.6 kJ/mol.
24  2.123
23  1.742
22  0.330
21  0.544
20 ^ 4.802
19 ^v 7.528
18 ^v 7.749
17 ^v 9.127
16 ^v 9.444
15 ^v 10.15
14 ^v 11.34
13 ^v 12.47
12 ^v 13.68
11 ^v 16.71
10 ^v 19.41
9 ^v 22.00
8 ^v 190.5
7 ^v 190.6
6 ^v 190.9
5 ^v 249.0
4 ^v 266.7
3 ^v 266.9
2 ^v 268.3
1 ^v 2730.
Total electronic energy = 576.9416853441 Hartrees