
1. A bonding orbital for C1C2 with 1.9863 electrons
__has 50.00% C 1 character in a sp1.06 hybrid
__has 50.00% C 2 character in a sp1.06 hybrid
2. A bonding orbital for C1N3 with 1.8876 electrons
__has 50.21% C 1 character in a sp2.60 hybrid
__has 49.79% N 3 character in a s0.53 p3 hybrid
3. A bonding orbital for C1C4 with 1.7995 electrons
__has 68.95% C 1 character in a s0.92 p3 hybrid
__has 31.05% C 4 character in a s0.35 p3 hybrid
4. A bonding orbital for C2N5 with 1.8874 electrons
__has 50.20% C 2 character in a sp2.61 hybrid
__has 49.80% N 5 character in a s0.53 p3 hybrid
5. A bonding orbital for C2C6 with 1.7998 electrons
__has 68.96% C 2 character in a s0.93 p3 hybrid
__has 31.04% C 6 character in a s0.36 p3 hybrid
6. A bonding orbital for N3C4 with 1.9765 electrons
__has 63.98% N 3 character in a sp2.03 hybrid
__has 36.02% C 4 character in a s0.98 p3 hybrid
7. A bonding orbital for N3C4 with 1.6538 electrons
__has 70.80% N 3 character in a ppi orbital ( 99.50% p 0.50% d)
__has 29.20% C 4 character in a ppi orbital ( 98.88% p 1.11% d)
8. A bonding orbital for N5C6 with 1.9765 electrons
__has 63.98% N 5 character in a sp2.02 hybrid
__has 36.02% C 6 character in a s0.98 p3 hybrid
9. A bonding orbital for N5C6 with 1.6539 electrons
__has 70.78% N 5 character in a ppi orbital ( 99.50% p 0.50% d)
__has 29.22% C 6 character in a ppi orbital ( 98.88% p 1.11% d)
16. A lone pair orbital for C1 with 0.6298 electrons
__made from a p3 hybrid
17. A lone pair orbital for C2 with 0.6298 electrons
__made from a p3 hybrid
18. A lone pair orbital for N3 with 1.9601 electrons
__made from a sp0.90 hybrid
19. A lone pair orbital for C4 with 1.9502 electrons
__made from a sp0.51 hybrid
20. A lone pair orbital for N5 with 1.9601 electrons
__made from a sp0.90 hybrid
21. A lone pair orbital for C6 with 1.9500 electrons
__made from a sp0.51 hybrid
With core pairs on: C 1 C 2 N 3 C 4 N 5 C 6 
The interaction of bonding donor orbital, 2, for C1N3 with the lone pair acceptor orbital, 17, for C2 is 43.6 kJ/mol.
The interaction of bonding donor orbital, 2, for C1N3 with the antibonding acceptor orbital, 138, for C1C4 is 84.7 kJ/mol.
The interaction of bonding donor orbital, 3, for C1C4 with the lone pair acceptor orbital, 17, for C2 is 178. kJ/mol.
The interaction of bonding donor orbital, 3, for C1C4 with the antibonding acceptor orbital, 137, for C1N3 is 30.7 kJ/mol.
The interaction of bonding donor orbital, 4, for C2N5 with the lone pair acceptor orbital, 16, for C1 is 43.8 kJ/mol.
The interaction of bonding donor orbital, 4, for C2N5 with the antibonding acceptor orbital, 140, for C2C6 is 84.8 kJ/mol.
The interaction of bonding donor orbital, 5, for C2C6 with the lone pair acceptor orbital, 16, for C1 is 177. kJ/mol.
The interaction of bonding donor orbital, 5, for C2C6 with the antibonding acceptor orbital, 139, for C2N5 is 30.7 kJ/mol.
The interaction of bonding donor orbital, 6, for N3C4 with the antibonding acceptor orbital, 136, for C1C2 is 88.7 kJ/mol.
The interaction of the second bonding donor orbital, 7, for N3C4 with the lone pair acceptor orbital, 16, for C1 is 863. kJ/mol.
The interaction of bonding donor orbital, 8, for N5C6 with the antibonding acceptor orbital, 136, for C1C2 is 88.7 kJ/mol.
The interaction of the second bonding donor orbital, 9, for N5C6 with the lone pair acceptor orbital, 17, for C2 is 863. kJ/mol.
The interaction of lone pair donor orbital, 16, for C1 with the antibonding acceptor orbital, 139, for C2N5 is 59.4 kJ/mol.
The interaction of lone pair donor orbital, 16, for C1 with the antibonding acceptor orbital, 140, for C2C6 is 52.9 kJ/mol.
The interaction of lone pair donor orbital, 17, for C2 with the antibonding acceptor orbital, 137, for C1N3 is 59.2 kJ/mol.
The interaction of lone pair donor orbital, 17, for C2 with the antibonding acceptor orbital, 138, for C1C4 is 53.1 kJ/mol.
23  2.958
22  3.056
21  4.085
20  4.158
19 ^v 7.682 18 ^v 7.686
17 ^v 8.787
16 ^v 8.970
15 ^v 11.93 14 ^v 11.94
13 ^v 13.43
12 ^v 14.36
11 ^v 14.38
10 ^v 14.51
9 ^v 20.06
8 ^v 27.24
7 ^v 27.43
6 ^v 269.6 5 ^v 269.6
4 ^v 270.2
3 ^v 270.3
2 ^v 380.3 1 ^v 380.3
Total electronic energy = 261.7292419225 Hartrees