
1. A bonding orbital for C1N2 with 1.9989 electrons
__has 43.36% C 1 character in a sp0.87 hybrid
__has 56.64% N 2 character in a sp1.23 hybrid
2. A bonding orbital for C1N2 with 1.9970 electrons
__has 46.01% C 1 character in a ppi orbital ( 99.84% p 0.16% d)
__has 53.99% N 2 character in a ppi orbital ( 99.60% p 0.40% d)
3. A bonding orbital for C1N2 with 1.9970 electrons
__has 46.01% C 1 character in a ppi orbital ( 99.84% p 0.16% d)
__has 53.99% N 2 character in a ppi orbital ( 99.60% p 0.40% d)
4. A bonding orbital for C1Cl3 with 1.9975 electrons
__has 49.91% C 1 character in a sp1.15 hybrid
__has 50.09% Cl 3 character in a s0.59 p3 hybrid
12. A lone pair orbital for N2 with 1.9663 electrons
__made from a sp0.80 hybrid
13. A lone pair orbital for Cl3 with 1.9858 electrons
__made from a sp0.19 hybrid
14. A lone pair orbital for Cl3 with 1.9282 electrons
__made from a ppi orbital ( 99.93% p 0.07% d)
15. A lone pair orbital for Cl3 with 1.9282 electrons
__made from a ppi orbital ( 99.93% p 0.07% d)
With core pairs on: C 1 N 2 Cl 3 Cl 3 Cl 3 Cl 3 Cl 3 
The interaction of lone pair donor orbital, 12, for N2 with the antibonding acceptor orbital, 79, for C1Cl3 is 75.8 kJ/mol.
The interaction of lone pair donor orbital, 13, for Cl3 with the antibonding acceptor orbital, 76, for C1N2 is 81.3 kJ/mol.
The interaction of the second lone pair donor orbital, 14, for Cl3 with the second antibonding acceptor orbital, 77, for C1N2 is 133. kJ/mol.
The interaction of the third lone pair donor orbital, 15, for Cl3 with the third antibonding acceptor orbital, 78, for C1N2 is 133. kJ/mol.
19  3.787
18  1.095 17  1.096
16  1.778
15 ^v 8.413 14 ^v 8.414
13 ^v 9.340
12 ^v 11.03 11 ^v 11.03
10 ^v 14.67
9 ^v 22.64
8 ^v 24.17
7 ^v 192.6 6 ^v 192.6
5 ^v 193.1
4 ^v 251.0
3 ^v 269.3
2 ^v 378.2
1 ^v 2732.
Total electronic energy = 553.0889304256 Hartrees