
1. A bonding orbital for C1C2 with 1.9974 electrons
__has 47.25% C 1 character in a sp2.59 hybrid
__has 52.75% C 2 character in a sp1.84 hybrid
2. A bonding orbital for C1H3 with 1.9785 electrons
__has 61.70% C 1 character in a s0.95 p3 hybrid
__has 38.30% H 3 character in a s orbital
3. A bonding orbital for C1H4 with 1.9886 electrons
__has 62.03% C 1 character in a s0.95 p3 hybrid
__has 37.97% H 4 character in a s orbital
4. A bonding orbital for C1H5 with 1.9786 electrons
__has 61.71% C 1 character in a s0.95 p3 hybrid
__has 38.29% H 5 character in a s orbital
5. A bonding orbital for C2Br6 with 1.9874 electrons
__has 48.20% C 2 character in a s0.66 p3 hybrid
__has 51.80% Br 6 character in a s0.43 p3 hybrid
6. A bonding orbital for C2Br7 with 1.9875 electrons
__has 48.30% C 2 character in a s0.67 p3 hybrid
__has 51.70% Br 7 character in a s0.43 p3 hybrid
7. A bonding orbital for C2H8 with 1.9893 electrons
__has 63.83% C 2 character in a sp2.45 hybrid
__has 36.17% H 8 character in a s orbital
38. A lone pair orbital for Br6 with 1.9955 electrons
__made from a sp0.21 hybrid
39. A lone pair orbital for Br6 with 1.9859 electrons
__made from a p3 hybrid
40. A lone pair orbital for Br6 with 1.9713 electrons
__made from a s0.12 p3 hybrid
41. A lone pair orbital for Br7 with 1.9954 electrons
__made from a sp0.21 hybrid
42. A lone pair orbital for Br7 with 1.9858 electrons
__made from a p3 hybrid
43. A lone pair orbital for Br7 with 1.9708 electrons
__made from a s0.11 p3 hybrid
With core pairs on: C 1 C 2 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 6 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 Br 7 
The interaction of bonding donor orbital, 2, for C1H3 with the antibonding acceptor orbital, 124, for C2Br6 is 37.5 kJ/mol.
The interaction of bonding donor orbital, 3, for C1H4 with the antibonding acceptor orbital, 126, for C2H8 is 21.6 kJ/mol.
The interaction of bonding donor orbital, 4, for C1H5 with the antibonding acceptor orbital, 125, for C2Br7 is 37.4 kJ/mol.
The interaction of the third lone pair donor orbital, 40, for Br6 with the antibonding acceptor orbital, 125, for C2Br7 is 38.4 kJ/mol.
The interaction of the third lone pair donor orbital, 43, for Br7 with the antibonding acceptor orbital, 124, for C2Br6 is 39.1 kJ/mol.
47  1.616
46  1.487
45  1.389
44  2.360
43 ^v 6.792
42 ^v 6.993
41 ^v 7.166
40 ^v 7.463
39 ^v 9.325
38 ^v 9.432
37 ^v 10.72
36 ^v 11.44
35 ^v 11.92
34 ^v 15.15
33 ^v 18.38
32 ^v 19.40
31 ^v 21.37
30 ^v 68.38 29 ^v 68.38
28 ^v 68.39 27 ^v 68.39
26 ^v 68.68 25 ^v 68.69 24 ^v 68.70 23 ^v 68.70
22 ^v 68.80
21 ^v 68.81
20 ^v 171.6 19 ^v 171.6 18 ^v 171.6 17 ^v 171.6
16 ^v 172.0
15 ^v 172.0
14 ^v 229.1
13 ^v 229.1
12 ^v 266.9
11 ^v 269.7
10 ^v 1517.
9 ^v 1517. 8 ^v 1517. 7 ^v 1517.
6 ^v 1517. 5 ^v 1517.
4 ^v 1680.
3 ^v 1680.
2 ^v 13067
1 ^v 13067
Total electronic energy = 5226.6304768201 Hartrees