
1. A bonding orbital for N1H3 with 1.9995 electrons
__has 69.12% N 1 character in a sp2.84 hybrid
__has 30.88% H 3 character in a s orbital
2. A bonding orbital for N1H4 with 1.9995 electrons
__has 69.12% N 1 character in a sp2.83 hybrid
__has 30.88% H 4 character in a s orbital
3. A bonding orbital for N1H5 with 1.9995 electrons
__has 69.12% N 1 character in a sp2.83 hybrid
__has 30.88% H 5 character in a s orbital
4. A bonding orbital for H2Cl6 with 1.9983 electrons
__has 28.38% H 2 character in a s orbital
__has 71.62% Cl 6 character in a s0.69 p3 hybrid
11. A lone pair orbital for N1 with 1.8798 electrons
__made from a s0.84 p3 hybrid
12. A lone pair orbital for Cl6 with 1.9987 electrons
__made from a ppi orbital ( 99.97% p)
13. A lone pair orbital for Cl6 with 1.9987 electrons
__made from a ppi orbital ( 99.97% p)
14. A lone pair orbital for Cl6 with 1.9976 electrons
__made from a sp0.23 hybrid
79. A antibonding orbital for H2Cl6 with 0.1181 electrons
__has 71.62% H 2 character in a s orbital
__has 28.38% Cl 6 character in a s0.69 p3 hybrid
With core pairs on: N 1 Cl 6 Cl 6 Cl 6 Cl 6 Cl 6 
The interaction of bonding donor orbital, 1, for N1H3 with the antibonding acceptor orbital, 79, for H2Cl6 is 8.11 kJ/mol.
The interaction of bonding donor orbital, 2, for N1H4 with the antibonding acceptor orbital, 79, for H2Cl6 is 8.24 kJ/mol.
The interaction of bonding donor orbital, 3, for N1H5 with the antibonding acceptor orbital, 79, for H2Cl6 is 8.15 kJ/mol.
The interaction of lone pair donor orbital, 11, for N1 with the antibonding acceptor orbital, 79, for H2Cl6 is 318. kJ/mol.
18  2.526
17  2.400 16  2.398
15  0.074
14 ^v 6.379 13 ^v 6.380
12 ^v 7.276
11 ^v 10.79
10 ^v 12.97 9 ^v 12.97
8 ^v 18.85
7 ^v 22.67
6 ^v 188.3 5 ^v 188.3
4 ^v 188.6
3 ^v 246.7
2 ^v 378.4
1 ^v 2727.
Total electronic energy = 517.4489692226 Hartrees