
1. A bonding orbital for C1O2 with 1.9753 electrons
__has 29.02% C 1 character in a s0.78 p3 hybrid
__has 70.98% O 2 character in a sp2.69 hybrid
2. A bonding orbital for C1H3 with 1.9949 electrons
__has 59.37% C 1 character in a sp2.77 hybrid
__has 40.63% H 3 character in a s orbital
3. A bonding orbital for C1H4 with 1.9953 electrons
__has 59.27% C 1 character in a sp2.75 hybrid
__has 40.73% H 4 character in a s orbital
4. A bonding orbital for C1H5 with 1.9947 electrons
__has 59.39% C 1 character in a sp2.77 hybrid
__has 40.61% H 5 character in a s orbital
5. A bonding orbital for O2C7 with 1.9957 electrons
__has 65.35% O 2 character in a sp2.27 hybrid
__has 34.65% C 7 character in a sp1.27 hybrid
6. A bonding orbital for N6C7 with 1.9975 electrons
__has 55.91% N 6 character in a sp1.84 hybrid
__has 44.09% C 7 character in a sp1.06 hybrid
7. A bonding orbital for N6C7 with 1.9966 electrons
__has 60.14% N 6 character in a ppi orbital ( 99.61% p 0.39% d)
__has 39.86% C 7 character in a ppi orbital ( 99.69% p 0.31% d)
8. A bonding orbital for N6C7 with 1.9909 electrons
__has 55.80% N 6 character in a s0.19 p3 hybrid
__has 44.20% C 7 character in a s0.24 p3 hybrid
13. A lone pair orbital for O2 with 1.9468 electrons
__made from a sp1.35 hybrid
14. A lone pair orbital for O2 with 1.8826 electrons
__made from a ppi orbital ( 99.93% p 0.07% d)
15. A lone pair orbital for N6 with 1.9660 electrons
__made from a sp0.69 hybrid
With core pairs on: C 1 O 2 N 6 C 7 
The interaction of bonding donor orbital, 1, for C1O2 with the third antibonding acceptor orbital, 114, for N6C7 is 56.2 kJ/mol.
The interaction of lone pair donor orbital, 13, for O2 with the antibonding acceptor orbital, 112, for N6C7 is 78.7 kJ/mol.
The interaction of the second lone pair donor orbital, 14, for O2 with the second antibonding acceptor orbital, 113, for N6C7 is 225. kJ/mol.
The interaction of lone pair donor orbital, 15, for N6 with the antibonding acceptor orbital, 111, for O2C7 is 93.7 kJ/mol.
19  1.542
18  0.478
17  0.260
16  1.039
15 ^v 7.192
14 ^v 8.050
13 ^v 8.654
12 ^v 10.10
11 ^v 10.30
10 ^v 12.59
9 ^v 12.77
8 ^v 14.89
7 ^v 19.08
6 ^v 22.29
5 ^v 28.31
4 ^v 268.8
3 ^v 268.9
2 ^v 377.3
1 ^v 509.3
Total electronic energy = 208.0158197771 Hartrees