
1. A bonding orbital for S1F2 with 1.8903 electrons
__has 13.64% S 1 character in a s0.53 p3 d2.30 hybrid
__has 86.36% F 2 character in a s0.41 p3 hybrid
2. A bonding orbital for S1N3 with 1.9840 electrons
__has 40.21% S 1 character in a s0.98 p3 d0.13 hybrid
__has 59.79% N 3 character in a sp2.68 hybrid
3. A bonding orbital for S1N3 with 1.9993 electrons
__has 63.01% S 1 character in a ppi orbital ( 98.99% p 1.01% d)
__has 36.99% N 3 character in a ppi orbital ( 99.54% p 0.46% d)
4. A bonding orbital for S1N3 with 1.8872 electrons
__has 15.21% S 1 character in a s0.29 p3 d2.57 hybrid
__has 84.79% N 3 character in a s0.08 p3 hybrid
12. A lone pair orbital for S1 with 1.9964 electrons
__made from a sp0.35 hybrid
13. A lone pair orbital for F2 with 1.9987 electrons
__made from a sp0.21 hybrid
14. A lone pair orbital for F2 with 1.9828 electrons
__made from a s0.17 p3 hybrid
15. A lone pair orbital for F2 with 1.9773 electrons
__made from a ppi orbital ( 99.99% p)
16. A lone pair orbital for N3 with 1.9948 electrons
__made from a sp0.41 hybrid
76. A antibonding orbital for S1F2 with 0.1243 electrons
__has 86.36% S 1 character in a s0.53 p3 d2.30 hybrid
__has 13.64% F 2 character in a s0.41 p3 hybrid
79. A antibonding orbital for S1N3 with 0.1052 electrons
__has 84.79% S 1 character in a s0.29 p3 d2.57 hybrid
__has 15.21% N 3 character in a s0.08 p3 hybrid
With core pairs on: S 1 S 1 S 1 S 1 S 1 F 2 N 3 
The interaction of bonding donor orbital, 1, for S1F2 with the third antibonding acceptor orbital, 79, for S1N3 is 426. kJ/mol.
The interaction of bonding donor orbital, 2, for S1N3 with the antibonding acceptor orbital, 76, for S1F2 is 47.8 kJ/mol.
The interaction of the third bonding donor orbital, 4, for S1N3 with the antibonding acceptor orbital, 76, for S1F2 is 362. kJ/mol.
The interaction of the third bonding donor orbital, 4, for S1N3 with the third antibonding acceptor orbital, 79, for S1N3 is 35.8 kJ/mol.
The interaction of lone pair donor orbital, 13, for F2 with the third antibonding acceptor orbital, 79, for S1N3 is 32.9 kJ/mol.
The interaction of the second lone pair donor orbital, 14, for F2 with the antibonding acceptor orbital, 77, for S1N3 is 21.7 kJ/mol.
The interaction of the third lone pair donor orbital, 15, for F2 with the second antibonding acceptor orbital, 78, for S1N3 is 28.6 kJ/mol.
The interaction of the third antibonding donor orbital, 79, for S1N3 with the antibonding acceptor orbital, 76, for S1F2 is 1675 kJ/mol.
20  5.200
19  0.298
18  2.763
17  5.037
16 ^v 8.059
15 ^v 9.247
14 ^v 9.536
13 ^v 10.60
12 ^v 11.48
11 ^v 12.19
10 ^v 16.15
9 ^v 24.48
8 ^v 29.10
7 ^v 158.8
6 ^v 158.9
5 ^v 159.0
4 ^v 211.8
3 ^v 379.6
2 ^v 655.7
1 ^v 2391.
Total electronic energy = 552.8255143528 Hartrees