
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 C1C2 with 0.9973 electrons
__has 47.80% C 1 character in a sp2.47 hybrid
__has 52.20% C 2 character in a sp2.22 hybrid
2. A bonding orbital for C1H3 with 0.9954 electrons
__has 59.08% C 1 character in a s0.89 p3 hybrid
__has 40.92% H 3 character in a s orbital
3. A bonding orbital for C1H4 with 0.9937 electrons
__has 61.44% C 1 character in a s0.95 p3 hybrid
__has 38.56% H 4 character in a s orbital
4. A bonding orbital for C1H5 with 0.9958 electrons
__has 59.68% C 1 character in a s0.96 p3 hybrid
__has 40.32% H 5 character in a s orbital
5. A bonding orbital for C2C6 with 0.9875 electrons
__has 45.98% C 2 character in a sp2.80 hybrid
__has 54.02% C 6 character in a sp2.24 hybrid
6. A bonding orbital for C2H7 with 0.9854 electrons
__has 60.70% C 2 character in a s0.73 p3 hybrid
__has 39.30% H 7 character in a s orbital
7. A bonding orbital for C2H8 with 0.9919 electrons
__has 60.59% C 2 character in a s0.91 p3 hybrid
__has 39.41% H 8 character in a s orbital
8. A bonding orbital for C6C9 with 0.9936 electrons
__has 48.34% C 6 character in a s0.77 p3 hybrid
__has 51.66% C 9 character in a sp2.00 hybrid
9. A bonding orbital for C6H10 with 0.9899 electrons
__has 61.62% C 6 character in a s0.95 p3 hybrid
__has 38.38% H10 character in a s orbital
10. A bonding orbital for C6H11 with 0.9899 electrons
__has 62.51% C 6 character in a s0.98 p3 hybrid
__has 37.49% H11 character in a s orbital
11. A bonding orbital for C9C12 with 0.9968 electrons
__has 50.47% C 9 character in a sp1.71 hybrid
__has 49.53% C12 character in a sp2.98 hybrid
12. A bonding orbital for C9O13 with 0.9989 electrons
__has 30.92% C 9 character in a sp2.31 hybrid
__has 69.08% O13 character in a sp1.48 hybrid
13. A bonding orbital for C9O13 with 0.9986 electrons
__has 15.20% C 9 character in a p3 hybrid
__has 84.80% O13 character in a p3 hybrid
14. A bonding orbital for C12H14 with 0.9938 electrons
__has 62.99% C12 character in a sp2.88 hybrid
__has 37.01% H14 character in a s orbital
15. A bonding orbital for C12H15 with 0.9778 electrons
__has 63.35% C12 character in a s0.92 p3 hybrid
__has 36.65% H15 character in a s orbital
16. A bonding orbital for C12H16 with 0.9886 electrons
__has 63.27% C12 character in a sp2.86 hybrid
__has 36.73% H16 character in a s orbital
23. A lone pair orbital for O13 with 0.9913 electrons
__made from a sp0.67 hybrid
24. A lone pair orbital for O13 with 0.9746 electrons
__made from a p3 hybrid
With core pairs on: C 1 C 2 C 6 C 9 C12 O13 
1. A bonding orbital for C1C2 with 0.9972 electrons
__has 47.76% C 1 character in a sp2.47 hybrid
__has 52.24% C 2 character in a sp2.23 hybrid
2. A bonding orbital for C1H3 with 0.9954 electrons
__has 59.08% C 1 character in a s0.89 p3 hybrid
__has 40.92% H 3 character in a s orbital
3. A bonding orbital for C1H4 with 0.9938 electrons
__has 61.42% C 1 character in a s0.95 p3 hybrid
__has 38.58% H 4 character in a s orbital
4. A bonding orbital for C1H5 with 0.9958 electrons
__has 59.67% C 1 character in a s0.96 p3 hybrid
__has 40.33% H 5 character in a s orbital
5. A bonding orbital for C2C6 with 0.9859 electrons
__has 46.64% C 2 character in a sp2.78 hybrid
__has 53.36% C 6 character in a sp2.17 hybrid
6. A bonding orbital for C2H7 with 0.9791 electrons
__has 61.17% C 2 character in a s0.73 p3 hybrid
__has 38.83% H 7 character in a s orbital
7. A bonding orbital for C2H8 with 0.9917 electrons
__has 60.71% C 2 character in a s0.90 p3 hybrid
__has 39.29% H 8 character in a s orbital
8. A bonding orbital for C6C9 with 0.9291 electrons
__has 38.63% C 6 character in a s0.71 p3 hybrid
__has 61.37% C 9 character in a sp2.06 hybrid
9. A bonding orbital for C6H10 with 0.9845 electrons
__has 61.56% C 6 character in a s0.97 p3 hybrid
__has 38.44% H10 character in a s orbital
10. A bonding orbital for C6H11 with 0.9908 electrons
__has 61.72% C 6 character in a s0.98 p3 hybrid
__has 38.28% H11 character in a s orbital
11. A bonding orbital for C9C12 with 0.9614 electrons
__has 57.34% C 9 character in a sp1.63 hybrid
__has 42.66% C12 character in a s0.92 p3 hybrid
12. A bonding orbital for C9O13 with 0.9989 electrons
__has 34.63% C 9 character in a sp2.34 hybrid
__has 65.37% O13 character in a sp1.31 hybrid
13. A bonding orbital for C9O13 with 0.9976 electrons
__has 23.42% C 9 character in a p3 hybrid
__has 76.58% O13 character in a p3 hybrid
14. A bonding orbital for C12H14 with 0.9948 electrons
__has 62.39% C12 character in a sp2.79 hybrid
__has 37.61% H14 character in a s orbital
15. A bonding orbital for C12H15 with 0.9779 electrons
__has 62.63% C12 character in a s0.94 p3 hybrid
__has 37.37% H15 character in a s orbital
16. A bonding orbital for C12H16 with 0.9876 electrons
__has 62.83% C12 character in a sp2.80 hybrid
__has 37.17% H16 character in a s orbital
23. A lone pair orbital for O13 with 0.9903 electrons
__made from a sp0.76 hybrid
24. A lone pair orbital for O13 with 0.1154 electrons
__made from a p3 hybrid
With core pairs on: C 1 C 2 C 6 C 9 C12 O13 
The interaction of bonding donor orbital, 6, for C2H7 with the antibonding acceptor orbital, 172, for C6C9 is 20.7 kJ/mol.
The interaction of bonding donor orbital, 8, for C6C9 with the second lone pair acceptor orbital, 24, for O13 is 105. kJ/mol.
The interaction of bonding donor orbital, 11, for C9C12 with the second lone pair acceptor orbital, 24, for O13 is 47.9 kJ/mol.
The interaction of bonding donor orbital, 15, for C12H15 with the second antibonding acceptor orbital, 177, for C9O13 is 27.4 kJ/mol.
28  3.096
27  3.116
26  3.781
25  8.388
24 ^ 12.76
23 ^v 13.43
22 ^v 13.63
21 ^v 13.94
20 ^v 15.25
19 ^v 15.26
18 ^v 15.35
17 ^v 15.81
16 ^v 16.43
15 ^v 17.33
14 ^v 17.74
13 ^v 18.02
12 ^v 19.05
11 ^v 20.27
10 ^v 22.66
9 ^v 24.31
8 ^v 25.64
7 ^v 33.81
6 ^v 270.9
5 ^v 272.1
4 ^v 272.4
3 ^v 273.0
2 ^v 275.8
1 ^v 514.6
Total electronic energy = 271.5335127017 Hartrees
^{*} The Lewis Structure (NBO analysis) calculations are done without diffuse functions to cut down on the size of the problem.