
1. A bonding orbital for O1C2 with 1.9981 electrons
__has 65.03% O 1 character in a sp2.25 hybrid
__has 34.97% C 2 character in a sp1.28 hybrid
2. A bonding orbital for O1H3 with 1.9736 electrons
__has 76.07% O 1 character in a s0.81 p3 hybrid
__has 23.93% H 3 character in a s orbital
3. A bonding orbital for C2N4 with 1.9982 electrons
__has 44.13% C 2 character in a sp0.88 hybrid
__has 55.87% N 4 character in a sp1.59 hybrid
4. A bonding orbital for C2N4 with 1.9968 electrons
__has 40.49% C 2 character in a ppi orbital ( 99.70% p 0.30% d)
__has 59.51% N 4 character in a ppi orbital ( 99.60% p 0.40% d)
5. A bonding orbital for C2N4 with 1.9911 electrons
__has 44.60% C 2 character in a s0.09 p3 hybrid
__has 55.40% N 4 character in a s0.08 p3 hybrid
9. A lone pair orbital for O1 with 1.9589 electrons
__made from a sp1.08 hybrid
10. A lone pair orbital for O1 with 1.9056 electrons
__made from a ppi orbital ( 99.92% p 0.08% d)
11. A lone pair orbital for N4 with 1.9655 electrons
__made from a sp0.69 hybrid
With core pairs on: O 1 C 2 N 4 
The interaction of bonding donor orbital, 2, for O1H3 with the third antibonding acceptor orbital, 78, for C2N4 is 58.5 kJ/mol.
The interaction of lone pair donor orbital, 9, for O1 with the antibonding acceptor orbital, 76, for C2N4 is 67.4 kJ/mol.
The interaction of lone pair donor orbital, 9, for O1 with the third antibonding acceptor orbital, 78, for C2N4 is 24.3 kJ/mol.
The interaction of the second lone pair donor orbital, 10, for O1 with the second antibonding acceptor orbital, 77, for C2N4 is 209. kJ/mol.
The interaction of lone pair donor orbital, 11, for N4 with the antibonding acceptor orbital, 74, for O1C2 is 97.2 kJ/mol.
15  1.992
14  0.222
13  0.402
12  1.048
11 ^v 7.748
10 ^v 8.391
9 ^v 8.908
8 ^v 11.57
7 ^v 12.61
6 ^v 17.10
5 ^v 22.59
4 ^v 28.73
3 ^v 269.2
2 ^v 377.5
1 ^v 509.6
Total electronic energy = 168.7052298550 Hartrees