
1. A bonding orbital for N1N2 with 1.9956 electrons
__has 40.62% N 1 character in a s0.95 p3 hybrid
__has 59.38% N 2 character in a sp0.99 hybrid
2. A bonding orbital for N1Cl3 with 1.9408 electrons
__has 52.91% N 1 character in a s0.41 p3 hybrid
__has 47.09% Cl 3 character in a s0.27 p3 hybrid
3. A bonding orbital for N2N4 with 1.9972 electrons
__has 57.77% N 2 character in a sp1.05 hybrid
__has 42.23% N 4 character in a sp2.32 hybrid
4. A bonding orbital for N2N4 with 1.9972 electrons
__has 44.27% N 2 character in a ppi orbital ( 99.71% p 0.29% d)
__has 55.73% N 4 character in a ppi orbital ( 99.65% p 0.35% d)
5. A bonding orbital for N2N4 with 1.9729 electrons
__has 62.50% N 2 character in a p3 hybrid
__has 37.50% N 4 character in a p3 hybrid
14. A lone pair orbital for N1 with 1.9292 electrons
__made from a sp0.54 hybrid
15. A lone pair orbital for N1 with 1.5561 electrons
__made from a ppi orbital ( 99.78% p 0.22% d)
16. A lone pair orbital for Cl3 with 1.9984 electrons
__made from a sp0.22 hybrid
17. A lone pair orbital for Cl3 with 1.9886 electrons
__made from a ppi orbital ( 99.99% p)
18. A lone pair orbital for Cl3 with 1.9869 electrons
__made from a s0.33 p3 hybrid
19. A lone pair orbital for N4 with 1.9784 electrons
__made from a sp0.44 hybrid
102. A antibonding orbital for N2N4 with 0.4385 electrons
__has 55.73% N 2 character in a ppi orbital ( 99.71% p 0.29% d)
__has 44.27% N 4 character in a ppi orbital ( 99.65% p 0.35% d)
103. A antibonding orbital for N2N4 with 0.1005 electrons
__has 37.50% N 2 character in a p3 hybrid
__has 62.50% N 4 character in a p3 hybrid
With core pairs on: N 1 N 2 Cl 3 Cl 3 Cl 3 Cl 3 Cl 3 N 4 
The interaction of bonding donor orbital, 2, for N1Cl3 with the third antibonding acceptor orbital, 103, for N2N4 is 81.3 kJ/mol.
The interaction of the third bonding donor orbital, 5, for N2N4 with the antibonding acceptor orbital, 100, for N1Cl3 is 50.4 kJ/mol.
The interaction of lone pair donor orbital, 14, for N1 with the antibonding acceptor orbital, 101, for N2N4 is 91.0 kJ/mol.
The interaction of lone pair donor orbital, 14, for N1 with the third antibonding acceptor orbital, 103, for N2N4 is 37.1 kJ/mol.
The interaction of the second lone pair donor orbital, 15, for N1 with the second antibonding acceptor orbital, 102, for N2N4 is 902. kJ/mol.
The interaction of the third lone pair donor orbital, 18, for Cl3 with the antibonding acceptor orbital, 99, for N1N2 is 21.5 kJ/mol.
The interaction of lone pair donor orbital, 19, for N4 with the antibonding acceptor orbital, 99, for N1N2 is 78.9 kJ/mol.
The interaction of the third antibonding donor orbital, 103, for N2N4 with the antibonding acceptor orbital, 100, for N1Cl3 is 56.3 kJ/mol.
23  3.080
22  1.866
21  1.907
20  4.531
19 ^v 6.924
18 ^v 8.117
17 ^v 9.351
16 ^v 9.607
15 ^v 11.68
14 ^v 13.50
13 ^v 13.60
12 ^v 14.50
11 ^v 21.38
10 ^v 25.73
9 ^v 29.45
8 ^v 191.4 7 ^v 191.4
6 ^v 192.1
5 ^v 249.9
4 ^v 380.3
3 ^v 380.6
2 ^v 382.6
1 ^v 2731.
Total electronic energy = 624.4565204276 Hartrees