
1. A bonding orbital for H1O2 with 1.9845 electrons
__has 25.03% H 1 character in a s orbital
__has 74.97% O 2 character in a s0.79 p3 hybrid
2. A bonding orbital for O2N3 with 1.9972 electrons
__has 50.87% O 2 character in a s0.76 p3 hybrid
__has 49.13% N 3 character in a sp1.72 hybrid
3. A bonding orbital for N3C4 with 1.9967 electrons
__has 69.08% N 3 character in a sp0.64 hybrid
__has 30.92% C 4 character in a sp2.81 hybrid
4. A bonding orbital for N3C4 with 1.9958 electrons
__has 72.34% N 3 character in a ppi orbital ( 99.86% p 0.14% d)
__has 27.66% C 4 character in a ppi orbital ( 99.33% p 0.67% d)
5. A bonding orbital for N3C4 with 1.9880 electrons
__has 74.73% N 3 character in a s0.08 p3 hybrid
__has 25.27% C 4 character in a s0.07 p3 hybrid
9. A lone pair orbital for O2 with 1.9801 electrons
__made from a sp0.69 hybrid
10. A lone pair orbital for O2 with 1.9541 electrons
__made from a ppi orbital ( 99.94% p 0.06% d)
11. A lone pair orbital for C4 with 1.9706 electrons
__made from a sp0.38 hybrid
With core pairs on: O 2 N 3 C 4 
The interaction of bonding donor orbital, 1, for H1O2 with the third antibonding acceptor orbital, 78, for N3C4 is 29.9 kJ/mol.
The interaction of lone pair donor orbital, 9, for O2 with the antibonding acceptor orbital, 76, for N3C4 is 46.0 kJ/mol.
The interaction of the second lone pair donor orbital, 10, for O2 with the second antibonding acceptor orbital, 77, for N3C4 is 92.1 kJ/mol.
The interaction of lone pair donor orbital, 11, for C4 with the antibonding acceptor orbital, 75, for O2N3 is 93.9 kJ/mol.
15  1.090
14  0.582
13  0.895
12  1.428
11 ^v 7.607
10 ^v 7.801
9 ^v 8.874
8 ^v 11.84
7 ^v 13.10
6 ^v 17.24
5 ^v 22.89
4 ^v 29.36
3 ^v 267.9
2 ^v 380.1
1 ^v 510.0
Total electronic energy = 168.6134015021 Hartrees