
1. A bonding orbital for O1N3 with 1.9998 electrons
__has 70.72% O 1 character in a ppi orbital ( 99.75% p 0.25% d)
__has 29.28% N 3 character in a ppi orbital ( 99.27% p 0.73% d)
2. A bonding orbital for O1N3 with 1.9981 electrons
__has 59.88% O 1 character in a sp2.07 hybrid
__has 40.12% N 3 character in a sp2.70 hybrid
3. A antibonding orbital for N2N3 with 1.9891 electrons
__has 50.01% N 2 character in a p3 hybrid
__has 49.99% N 3 character in a p3 hybrid
4. A bonding orbital for N2O4 with 1.9998 electrons
__has 29.27% N 2 character in a ppi orbital ( 99.27% p 0.73% d)
__has 70.73% O 4 character in a ppi orbital ( 99.75% p 0.25% d)
5. A bonding orbital for N2O4 with 1.9981 electrons
__has 40.12% N 2 character in a sp2.70 hybrid
__has 59.88% O 4 character in a sp2.07 hybrid
10. A lone pair orbital for O1 with 1.9950 electrons
__made from a sp0.47 hybrid
11. A lone pair orbital for O1 with 1.6392 electrons
__made from a p3 hybrid
12. A lone pair orbital for N2 with 1.9975 electrons
__made from a sp0.34 hybrid
13. A lone pair orbital for N3 with 1.9975 electrons
__made from a sp0.34 hybrid
14. A lone pair orbital for O4 with 1.9950 electrons
__made from a sp0.47 hybrid
15. A lone pair orbital for O4 with 1.6393 electrons
__made from a p3 hybrid
94. A bonding orbital for N2N3 with 0.6883 electrons
__has 49.99% N 2 character in a p3 hybrid
__has 50.01% N 3 character in a p3 hybrid
With core pairs on: O 1 N 2 N 3 O 4 
The interaction of the second lone pair donor orbital, 11, for O1 with the antibonding acceptor orbital, 3, for N2N3 is 93.3 kJ/mol.
The interaction of the second lone pair donor orbital, 11, for O1 with the bonding acceptor orbital, 94, for N2N3 is 1199 kJ/mol.
The interaction of the second lone pair donor orbital, 15, for O4 with the antibonding acceptor orbital, 3, for N2N3 is 93.3 kJ/mol.
The interaction of the second lone pair donor orbital, 15, for O4 with the bonding acceptor orbital, 94, for N2N3 is 1199 kJ/mol.
19  3.932
18  2.808
17  4.217
16  4.753
15 ^v 4.918
14 ^v 10.65
13 ^v 11.67
12 ^v 11.69
11 ^v 12.71
10 ^v 13.28
9 ^v 13.79
8 ^v 16.13
7 ^v 16.97
6 ^v 30.98
5 ^v 31.52
4 ^v 381.0 3 ^v 381.0
2 ^v 510.5 1 ^v 510.5
Total electronic energy = 259.8886332012 Hartrees