
1. A bonding orbital for C1N2 with 1.9942 electrons
__has 41.71% C 1 character in a s0.96 p3 hybrid
__has 58.29% N 2 character in a sp2.67 hybrid
2. A bonding orbital for C1H3 with 1.9797 electrons
__has 59.83% C 1 character in a s0.96 p3 hybrid
__has 40.17% H 3 character in a s orbital
3. A bonding orbital for C1H4 with 1.9808 electrons
__has 59.82% C 1 character in a s0.97 p3 hybrid
__has 40.18% H 4 character in a s orbital
4. A bonding orbital for C1H5 with 1.9967 electrons
__has 60.05% C 1 character in a sp2.68 hybrid
__has 39.95% H 5 character in a s orbital
5. A bonding orbital for N2O6 with 1.9962 electrons
__has 44.15% N 2 character in a sp2.63 hybrid
__has 55.85% O 6 character in a sp2.62 hybrid
6. A bonding orbital for N2O6 with 1.9913 electrons
__has 37.97% N 2 character in a ppi orbital ( 99.51% p 0.49% d)
__has 62.03% O 6 character in a ppi orbital ( 99.79% p 0.21% d)
10. A lone pair orbital for N2 with 1.9826 electrons
__made from a sp1.15 hybrid
11. A lone pair orbital for O6 with 1.9923 electrons
__made from a sp0.47 hybrid
12. A lone pair orbital for O6 with 1.9646 electrons
__made from a s0.16 p3 hybrid
With core pairs on: C 1 N 2 O 6 
The interaction of bonding donor orbital, 2, for C1H3 with the second antibonding acceptor orbital, 90, for N2O6 is 26.1 kJ/mol.
The interaction of bonding donor orbital, 3, for C1H4 with the second antibonding acceptor orbital, 90, for N2O6 is 24.2 kJ/mol.
The interaction of the second lone pair donor orbital, 12, for O6 with the antibonding acceptor orbital, 85, for C1N2 is 73.4 kJ/mol.
16  3.049
15  2.006
14  1.454
13  3.985
12 ^v 5.199
11 ^v 9.326
10 ^v 9.938
9 ^v 11.75
8 ^v 12.12
7 ^v 12.16
6 ^v 15.19
5 ^v 19.80
4 ^v 28.93
3 ^v 267.3
2 ^v 380.5
1 ^v 508.1
Total electronic energy = 169.8636658968 Hartrees