
1. A bonding orbital for C1N3 with 1.9999 electrons
__has 43.96% C 1 character in a ppi orbital ( 99.71% p 0.29% d)
__has 56.04% N 3 character in a ppi orbital ( 99.61% p 0.38% d)
2. A bonding orbital for C1N3 with 1.9999 electrons
__has 43.97% C 1 character in a ppi orbital ( 99.71% p 0.29% d)
__has 56.03% N 3 character in a ppi orbital ( 99.61% p 0.38% d)
3. A bonding orbital for C1N3 with 1.9981 electrons
__has 42.83% C 1 character in a sp1.08 hybrid
__has 57.17% N 3 character in a sp1.15 hybrid
4. A bonding orbital for C1H4 with 1.9924 electrons
__has 63.60% C 1 character in a sp0.91 hybrid
__has 36.40% H 4 character in a s orbital
5. A bonding orbital for C2H5 with 1.9933 electrons
__has 56.84% C 2 character in a sp2.03 hybrid
__has 43.16% H 5 character in a s orbital
6. A bonding orbital for C2O6 with 1.9999 electrons
__has 30.34% C 2 character in a ppi orbital ( 99.42% p 0.57% d)
__has 69.66% O 6 character in a ppi orbital ( 99.82% p 0.18% d)
7. A bonding orbital for C2O6 with 1.9990 electrons
__has 34.21% C 2 character in a sp1.86 hybrid
__has 65.79% O 6 character in a sp1.46 hybrid
8. A bonding orbital for C2H7 with 1.9935 electrons
__has 56.82% C 2 character in a sp2.03 hybrid
__has 43.18% H 7 character in a s orbital
13. A lone pair orbital for N3 with 1.9791 electrons
__made from a sp0.85 hybrid
14. A lone pair orbital for O6 with 1.9839 electrons
__made from a sp0.67 hybrid
15. A lone pair orbital for O6 with 1.9122 electrons
__made from a ppi orbital ( 99.92% p 0.07% d)
With core pairs on: C 1 C 2 N 3 O 6 
The interaction of lone pair donor orbital, 13, for N3 with the antibonding acceptor orbital, 110, for C1H4 is 37.4 kJ/mol.
The interaction of lone pair donor orbital, 14, for O6 with the antibonding acceptor orbital, 110, for C1H4 is 13.5 kJ/mol.
The interaction of the second lone pair donor orbital, 15, for O6 with the antibonding acceptor orbital, 111, for C2H5 is 108. kJ/mol.
The interaction of the second lone pair donor orbital, 15, for O6 with the antibonding acceptor orbital, 114, for C2H7 is 108. kJ/mol.
19  1.188
18  0.717 17  0.718
16  3.651
15 ^v 7.024
14 ^v 8.618 13 ^v 8.620
12 ^v 8.634
11 ^v 10.91
10 ^v 11.84
9 ^v 12.82
8 ^v 14.32
7 ^v 16.28
6 ^v 22.39
5 ^v 27.16
4 ^v 267.4
3 ^v 269.8
2 ^v 377.5
1 ^v 507.8
Total electronic energy = 208.0055167518 Hartrees