
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 C1C2 with 0.9975 electrons
__has 48.09% C 1 character in a sp1.93 hybrid
__has 51.91% C 2 character in a sp1.74 hybrid
2. A bonding orbital for C1O5 with 0.9988 electrons
__has 33.91% C 1 character in a sp2.14 hybrid
__has 66.09% O 5 character in a sp1.61 hybrid
3. A bonding orbital for C1C6 with 0.9968 electrons
__has 48.27% C 1 character in a sp1.91 hybrid
__has 51.73% C 6 character in a sp2.65 hybrid
4. A bonding orbital for C2H3 with 0.9951 electrons
__has 61.36% C 2 character in a sp2.14 hybrid
__has 38.64% H 3 character in a s orbital
5. A bonding orbital for C2H4 with 0.9951 electrons
__has 60.61% C 2 character in a sp2.13 hybrid
__has 39.39% H 4 character in a s orbital
6. A bonding orbital for C6H7 with 0.9960 electrons
__has 60.80% C 6 character in a s0.99 p3 hybrid
__has 39.20% H 7 character in a s orbital
7. A bonding orbital for C6H8 with 0.9918 electrons
__has 60.31% C 6 character in a s0.95 p3 hybrid
__has 39.69% H 8 character in a s orbital
8. A bonding orbital for C6H9 with 0.9898 electrons
__has 60.57% C 6 character in a s0.93 p3 hybrid
__has 39.43% H 9 character in a s orbital
13. A lone pair orbital for C1 with 0.2357 electrons
__made from a ppi orbital ( 99.90% p 0.10% d)
14. A lone pair orbital for C2 with 0.8750 electrons
__made from a p3 hybrid
15. A lone pair orbital for O5 with 0.9912 electrons
__made from a sp0.61 hybrid
16. A lone pair orbital for O5 with 0.9657 electrons
__made from a ppi orbital ( 99.93% p 0.06% d)
17. A lone pair orbital for O5 with 0.8997 electrons
__made from a ppi orbital ( 99.90% p 0.10% d)
With core pairs on: C 1 C 2 O 5 C 6 
1. A bonding orbital for C1C2 with 0.9970 electrons
__has 53.42% C 1 character in a sp1.83 hybrid
__has 46.58% C 2 character in a sp1.80 hybrid
2. A bonding orbital for C1O5 with 0.9985 electrons
__has 37.61% C 1 character in a sp2.18 hybrid
__has 62.39% O 5 character in a sp1.58 hybrid
3. A bonding orbital for C1O5 with 0.9427 electrons
__has 62.53% C 1 character in a ppi orbital ( 99.81% p 0.19% d)
__has 37.47% O 5 character in a ppi orbital ( 99.76% p 0.24% d)
4. A bonding orbital for C1C6 with 0.9965 electrons
__has 50.30% C 1 character in a sp1.97 hybrid
__has 49.70% C 6 character in a sp2.70 hybrid
5. A bonding orbital for C2H3 with 0.9959 electrons
__has 56.69% C 2 character in a sp2.10 hybrid
__has 43.31% H 3 character in a s orbital
6. A bonding orbital for C2H4 with 0.9959 electrons
__has 55.85% C 2 character in a sp2.10 hybrid
__has 44.15% H 4 character in a s orbital
7. A bonding orbital for C6H7 with 0.9965 electrons
__has 60.49% C 6 character in a sp2.99 hybrid
__has 39.51% H 7 character in a s orbital
8. A bonding orbital for C6H8 with 0.9941 electrons
__has 59.27% C 6 character in a s0.96 p3 hybrid
__has 40.73% H 8 character in a s orbital
9. A bonding orbital for C6H9 with 0.9934 electrons
__has 59.29% C 6 character in a s0.94 p3 hybrid
__has 40.71% H 9 character in a s orbital
15. A lone pair orbital for O5 with 0.9902 electrons
__made from a sp0.62 hybrid
16. A lone pair orbital for O5 with 0.9635 electrons
__made from a p3 hybrid
With core pairs on: C 1 C 2 O 5 C 6 
The interaction of the second bonding donor orbital, 3, for C1O5 with the lone pair acceptor orbital, 14, for C2 is 94.6 kJ/mol.
The interaction of the second lone pair donor orbital, 16, for O5 with the antibonding acceptor orbital, 118, for C1C2 is 41.7 kJ/mol.
The interaction of the second lone pair donor orbital, 16, for O5 with the antibonding acceptor orbital, 121, for C1C6 is 50.8 kJ/mol.
20  2.238
19  1.815
18  1.544
17  1.227
16 ^ 6.048
15 ^v 6.315
14 ^v 9.164
13 ^v 9.535
12 ^v 9.837
11 ^v 11.06
10 ^v 11.35
9 ^v 11.79
8 ^v 13.34
7 ^v 17.50
6 ^v 19.17
5 ^v 25.68
4 ^v 266.5
3 ^v 267.6
2 ^v 268.7
1 ^v 506.3
Total electronic energy = 192.5611869911 Hartrees