
1. A bonding orbital for O1N3 with 1.9998 electrons
__has 71.39% O 1 character in a ppi orbital ( 99.69% p 0.31% d)
__has 28.61% N 3 character in a ppi orbital ( 99.07% p 0.93% d)
2. A bonding orbital for O1N3 with 1.9971 electrons
__has 56.85% O 1 character in a s0.67 p3 hybrid
__has 43.15% N 3 character in a s0.83 p3 hybrid
3. A bonding orbital for O1N3 with 1.9964 electrons
__has 57.41% O 1 character in a s0.56 p3 hybrid
__has 42.59% N 3 character in a s0.22 p3 hybrid
7. A lone pair orbital for O1 with 1.9950 electrons
__made from a sp0.50 hybrid
8. A lone pair orbital for F2 with 1.9994 electrons
__made from a sp0.25 hybrid
9. A lone pair orbital for F2 with 1.9978 electrons
__made from a s0.66 p3 hybrid
10. A lone pair orbital for F2 with 1.9913 electrons
__made from a ppi orbital (100.00% p)
11. A lone pair orbital for F2 with 1.6836 electrons
__made from a s0.07 p3 hybrid
12. A lone pair orbital for N3 with 1.9975 electrons
__made from a sp0.37 hybrid
71. A antibonding orbital for O1N3 with 0.1013 electrons
__has 43.15% O 1 character in a s0.67 p3 hybrid
__has 56.85% N 3 character in a s0.83 p3 hybrid
72. A antibonding orbital for O1N3 with 0.2117 electrons
__has 42.59% O 1 character in a s0.56 p3 hybrid
__has 57.41% N 3 character in a s0.22 p3 hybrid
With core pairs on: O 1 F 2 N 3 
The interaction of the third antibonding donor orbital, 72, for O1N3 with the second antibonding acceptor orbital, 71, for O1N3 is 301. kJ/mol.
The interaction of lone pair donor orbital, 8, for F2 with the second antibonding acceptor orbital, 71, for O1N3 is 7.94 kJ/mol.
The interaction of lone pair donor orbital, 8, for F2 with the third antibonding acceptor orbital, 72, for O1N3 is 5.77 kJ/mol.
The interaction of the second lone pair donor orbital, 9, for F2 with the second antibonding acceptor orbital, 71, for O1N3 is 8.40 kJ/mol.
The interaction of the third lone pair donor orbital, 10, for F2 with the antibonding acceptor orbital, 70, for O1N3 is 9.66 kJ/mol.
The interaction of 4th lone pair donor orbital, 11, for F2 with the second antibonding acceptor orbital, 71, for O1N3 is 66.5 kJ/mol.
The interaction of 4th lone pair donor orbital, 11, for F2 with the third antibonding acceptor orbital, 72, for O1N3 is 147. kJ/mol.
16  5.454
15  3.898
14  5.175
13  6.047
12 ^v 7.580
11 ^v 7.781
10 ^v 7.946
9 ^v 13.80
8 ^v 15.46
7 ^v 15.61
6 ^v 18.56
5 ^v 26.10
4 ^v 34.68
3 ^v 383.4
2 ^v 513.8
1 ^v 653.6
Total electronic energy = 229.7704019605 Hartrees