
Tell me about the atomic charges, dipole moment,
bond lengths,
angles,
bond orders,
molecular orbital energies,
or total energy.
Tell me about the best Lewis structure.
The Lewis structure is built for the up and down electrons,
separately. Note that the up and down structures can be very
different.
1. A bonding orbital for B1B2 with 1.0000 electrons
__has 50.00% B 1 character in a ppi orbital ( 99.53% p 0.47% d)
__has 50.00% B 2 character in a ppi orbital ( 99.53% p 0.47% d)
2. A bonding orbital for B1B2 with 1.0000 electrons
__has 50.00% B 1 character in a ppi orbital ( 99.53% p 0.47% d)
__has 50.00% B 2 character in a ppi orbital ( 99.53% p 0.47% d)
5. A lone pair orbital for B1 with 0.8255 electrons
__made from a s orbital
6. A lone pair orbital for B1 with 0.1744 electrons
__made from a p3 hybrid
7. A lone pair orbital for B2 with 0.8255 electrons
__made from a s orbital
8. A lone pair orbital for B2 with 0.1744 electrons
__made from a p3 hybrid
With core pairs on: B 1 B 2 
1. A bonding orbital for B1B2 with 0.9222 electrons
__has 63.24% B 1 character in a sp0.27 hybrid
__has 36.76% B 2 character in a sp1.44 hybrid
2. A bonding orbital for B1B2 with 0.9222 electrons
__has 36.76% B 1 character in a s0.79 p3 hybrid
__has 63.24% B 2 character in a sp0.71 hybrid
With core pairs on: B 1 B 2 
10  1.664
9  1.726 8  1.726
7  5.557
6 ^ 6.107 5 ^ 6.107
4 ^v 7.592
3 ^v 13.57
2 ^v 177.9
1 ^v 177.9
Total electronic energy = 49.4167092274 Hartrees
This configuration is not the ground state configuration of B_{2}. Rather the experimental configuration is (2 sigma_{g}^{+})^{2} (2 sigma*_{u}^{+})^{1} (1 pi_{u}^{+})^{2} (3 sigma_{g}^{+})^{1}.