
1. A bonding orbital for N1N2 with 1.9748 electrons
__has 50.00% N 1 character in a s0.55 p3 hybrid
__has 50.00% N 2 character in a s0.55 p3 hybrid
2. A bonding orbital for N1F3 with 1.9882 electrons
__has 37.33% N 1 character in a s0.49 p3 hybrid
__has 62.67% F 3 character in a s0.42 p3 hybrid
3. A bonding orbital for N1F4 with 1.9888 electrons
__has 37.52% N 1 character in a s0.49 p3 hybrid
__has 62.48% F 4 character in a s0.41 p3 hybrid
4. A bonding orbital for N2F5 with 1.9882 electrons
__has 37.32% N 2 character in a s0.49 p3 hybrid
__has 62.68% F 5 character in a s0.42 p3 hybrid
5. A bonding orbital for N2F6 with 1.9888 electrons
__has 37.50% N 2 character in a s0.49 p3 hybrid
__has 62.50% F 6 character in a s0.41 p3 hybrid
12. A lone pair orbital for N1 with 1.9856 electrons
__made from a sp0.76 hybrid
13. A lone pair orbital for N2 with 1.9858 electrons
__made from a sp0.76 hybrid
14. A lone pair orbital for F3 with 1.9980 electrons
__made from a sp0.19 hybrid
15. A lone pair orbital for F3 with 1.9858 electrons
__made from a s0.12 p3 hybrid
16. A lone pair orbital for F3 with 1.9732 electrons
__made from a p3 hybrid
17. A lone pair orbital for F4 with 1.9979 electrons
__made from a sp0.20 hybrid
18. A lone pair orbital for F4 with 1.9850 electrons
__made from a s0.15 p3 hybrid
19. A lone pair orbital for F4 with 1.9718 electrons
__made from a p3 hybrid
20. A lone pair orbital for F5 with 1.9980 electrons
__made from a sp0.19 hybrid
21. A lone pair orbital for F5 with 1.9857 electrons
__made from a s0.11 p3 hybrid
22. A lone pair orbital for F5 with 1.9732 electrons
__made from a p3 hybrid
23. A lone pair orbital for F6 with 1.9979 electrons
__made from a sp0.20 hybrid
24. A lone pair orbital for F6 with 1.9851 electrons
__made from a s0.15 p3 hybrid
25. A lone pair orbital for F6 with 1.9721 electrons
__made from a p3 hybrid
With core pairs on: N 1 N 2 F 3 F 4 F 5 F 6 
The interaction of the third lone pair donor orbital, 16, for F3 with the antibonding acceptor orbital, 142, for N1F4 is 44.7 kJ/mol.
The interaction of the second lone pair donor orbital, 18, for F4 with the antibonding acceptor orbital, 140, for N1N2 is 19.9 kJ/mol.
The interaction of the third lone pair donor orbital, 19, for F4 with the antibonding acceptor orbital, 141, for N1F3 is 41.0 kJ/mol.
The interaction of the third lone pair donor orbital, 22, for F5 with the antibonding acceptor orbital, 144, for N2F6 is 45.0 kJ/mol.
The interaction of the third lone pair donor orbital, 25, for F6 with the antibonding acceptor orbital, 143, for N2F5 is 40.2 kJ/mol.
29  1.460
28  2.038
27  3.248
26  3.403
25 ^v 8.521
24 ^v 9.293
23 ^v 10.87
22 ^v 10.90
21 ^v 11.31
20 ^v 11.41
19 ^v 11.45
18 ^v 12.15
17 ^v 13.37
16 ^v 13.86
15 ^v 15.60
14 ^v 16.06
13 ^v 16.30
12 ^v 19.56
11 ^v 23.58
10 ^v 31.01
9 ^v 31.15
8 ^v 32.84
7 ^v 33.88
6 ^v 384.4 5 ^v 384.4
4 ^v 658.0
3 ^v 658.0
2 ^v 658.1 1 ^v 658.1
Total electronic energy = 508.8066594304 Hartrees