
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.
1. A bonding orbital for Si1Si2 with 1.0000 electrons
__has 50.00% Si 1 character in a s0.69 p3 hybrid
__has 50.00% Si 2 character in a s0.69 p3 hybrid
2. A bonding orbital for Si1Si2 with 1.0000 electrons
__has 50.00% Si 1 character in a ppi orbital ( 99.37% p 0.63% d)
__has 50.00% Si 2 character in a ppi orbital ( 99.37% p 0.63% d)
3. A bonding orbital for Si1Si2 with 1.0000 electrons
__has 50.00% Si 1 character in a ppi orbital ( 99.25% p 0.75% d)
__has 50.00% Si 2 character in a ppi orbital ( 99.25% p 0.75% d)
14. A lone pair orbital for Si1 with 0.9985 electrons
__made from a sp0.22 hybrid
15. A lone pair orbital for Si2 with 0.9985 electrons
__made from a sp0.22 hybrid
With core pairs on:Si 1 Si 1 Si 1 Si 1 Si 1 Si 2 Si 2 Si 2 Si 2 Si 2 
1. A bonding orbital for Si1Si2 with 1.0000 electrons
__has 50.00% Si 1 character in a ppi orbital ( 99.36% p 0.64% d)
__has 50.00% Si 2 character in a ppi orbital ( 99.36% p 0.64% d)
12. A lone pair orbital for Si1 with 0.9110 electrons
__made from a s orbital
15. A lone pair orbital for Si2 with 0.9110 electrons
__made from a s orbital
With core pairs on:Si 1 Si 1 Si 1 Si 1 Si 1 Si 2 Si 2 Si 2 Si 2 Si 2 
19  2.320
18  0.042
17  3.136 16  3.136
15 ^ 5.278
14 ^ 5.722 13 ^v 5.722
12 ^v 9.413
11 ^v 13.14
10 ^v 94.80
9 ^v 94.82
8 ^v 95.13 7 ^v 95.13 6 ^v 95.13 5 ^v 95.14
4 ^v 137.3 3 ^v 137.3
2 ^v 1773. 1 ^v 1773.
Total electronic energy = 578.9071358411 Hartrees
*K. P. Huber and G. Herzberg, p 592, indicate the ground state is a triplet state with the same orbital ordering as O_{2} (^{3}Sigma ^{}_{g} is lower in energy than the ^{3}Pi _{u} ). Therefore, the molecular orbital ordering is not correct in this calculation. However, very careful ab initio calculations suggest this state to be the first excited state. See C. W. Bauschlicher, S. R. Langhoff, J. Chem. Phys.,1987, 87, 291924, and M. R. Nimbus, L. B. Harding, G. B. Ellison, J. Chem. Phys., 1987, 87, 5116. There is some considerable uncertainty in determining which triplet state is really lowest. Please also check the even higher energy singlet state calculation.