H3 \ C5 - C1 - H2 // / O6 H4
The multiplicity is 2.

Atomic Charges and Dipole Moment

C1 charge= 0.206
H2 charge= 0.004
H3 charge= 0.007
H4 charge= 0.028
C5 charge=-0.051
O6 charge=-0.195
with a dipole moment of 2.75310 Debye

Bond Lengths:

between C1 and H2: distance=1.104 ang___ between C1 and H3: distance=1.104 ang___
between C1 and H4: distance=1.106 ang___ between C1 and C5: distance=1.511 ang___
between C5 and O6: distance=1.201 ang___

Bond Angles:

for H3-C1-H2: angle=106.7 deg___ for H4-C1-H2: angle=110.8 deg___
for C5-C1-H2: angle=108.5 deg___ for O6-C5-C1: angle=128.1 deg___

Bond Orders (Mulliken):

between C1 and H2: order=0.959___ between C1 and H3: order=0.957___
between C1 and H4: order=0.979___ between C1 and C5: order=0.831___
between C5 and O6: order=1.972___

Best Lewis Structure

The Lewis structure that is closest to your structure is determined. The hybridization of the atoms in this idealized Lewis structure is given in the table below. The Lewis structure is built for the up and down electrons, separately. Note that the up and down structures can be very different.

Hybridization in the Best Lewis Structure

Down Electrons

1. A bonding orbital for C1-H2 with 0.9907 electrons
__has 61.18% C 1 character in a s0.96 p3 hybrid
__has 38.82% H 2 character in a s orbital

2. A bonding orbital for C1-H3 with 0.9903 electrons
__has 61.19% C 1 character in a s0.95 p3 hybrid
__has 38.81% H 3 character in a s orbital

3. A bonding orbital for C1-H4 with 0.9986 electrons
__has 59.92% C 1 character in a s0.95 p3 hybrid
__has 40.08% H 4 character in a s orbital

4. A bonding orbital for C1-C5 with 0.9975 electrons
__has 56.10% C 1 character in a sp2.59 hybrid
__has 43.90% C 5 character in a sp2.27 hybrid

5. A bonding orbital for C5-O6 with 0.9990 electrons
__has 32.18% C 5 character in a sp2.10 hybrid
__has 67.82% O 6 character in a sp1.43 hybrid

6. A bonding orbital for C5-O6 with 0.9969 electrons
__has 28.41% C 5 character in a p-pi orbital ( 99.37% p 0.63% d)
__has 71.59% O 6 character in a p-pi orbital ( 99.79% p 0.21% d)

10. A lone pair orbital for C5 with 0.9816 electrons

11. A lone pair orbital for O6 with 0.9929 electrons

12. A lone pair orbital for O6 with 0.9730 electrons
__made from a s0.07 p3 hybrid

-With core pairs on: C 1 C 5 O 6 -

Up Electrons

1. A bonding orbital for C1-H2 with 0.9910 electrons
__has 60.55% C 1 character in a s0.94 p3 hybrid
__has 39.45% H 2 character in a s orbital

2. A bonding orbital for C1-H3 with 0.9905 electrons
__has 60.57% C 1 character in a s0.94 p3 hybrid
__has 39.43% H 3 character in a s orbital

3. A bonding orbital for C1-H4 with 0.9904 electrons
__has 62.15% C 1 character in a sp2.50 hybrid
__has 37.85% H 4 character in a s orbital

4. A bonding orbital for C1-C5 with 0.9985 electrons
__has 49.53% C 1 character in a s0.93 p3 hybrid
__has 50.47% C 5 character in a sp0.80 hybrid

5. A bonding orbital for C5-O6 with 0.9993 electrons
__has 33.43% C 5 character in a sp1.28 hybrid
__has 66.57% O 6 character in a sp1.61 hybrid

6. A bonding orbital for C5-O6 with 0.9975 electrons
__has 21.76% C 5 character in a p3 hybrid
__has 78.24% O 6 character in a p3 hybrid

7. A bonding orbital for C5-O6 with 0.9973 electrons
__has 21.36% C 5 character in a p3 hybrid
__has 78.64% O 6 character in a s0.14 p3 hybrid

11. A lone pair orbital for O6 with 0.9911 electrons

-With core pairs on: C 1 C 5 O 6 -

Donor Acceptor Interactions in the Best Lewis Structure

The localized orbitals in your best Lewis structure can interact strongly. A filled bonding or lone pair orbital can act as a donor and an empty or filled bonding, antibonding, or lone pair orbital can act as an acceptor. These interactions can strengthen and weaken bonds. For example, a lone pair donor->antibonding acceptor orbital interaction will weaken the bond associated with the antibonding orbital. Conversly, an interaction with a bonding pair as the acceptor will strengthen the bond. Strong electron delocalization in your best Lewis structure will also show up as donor-acceptor interactions.
Interactions greater than 20 kJ/mol for bonding and lone pair orbitals are listed below.

The interaction of bonding donor orbital, 3, for C1-H4 with the third antibonding acceptor orbital, 90, for C5-O6 is 23.1 kJ/mol.

Molecular Orbital Energies

The orbital energies are given in eV, where 1 eV=96.49 kJ/mol. Orbitals with very low energy are core 1s orbitals. More antibonding orbitals than you might expect are sometimes listed, because d orbitals are always included for heavy atoms and p orbitals are included for H atoms. Up spins are shown with a ^ and down spins are shown as v. Only the spin up electron orbital energies are given.

16 ----- 2.915

15 ----- 2.198

14 ----- 1.741

13 ----- -2.226

12 -^--- -4.358

11 -^-v- -9.340

10 -^-v- -9.720

9 -^-v- -11.39
8 -^-v- -11.44
7 -^-v- -11.49

6 -^-v- -13.38

5 -^-v- -18.92

4 -^-v- -27.07

3 -^-v- -267.2

2 -^-v- -269.0

1 -^-v- -507.7

Total Electronic Energy

The total electronic energy is a very large number, so by convention the units are given in atomic units, that is Hartrees (H). One Hartree is 2625.5 kJ/mol. The energy reference is for totally dissociated atoms. In other words, the reference state is a gas consisting of nuclei and electrons all at infinite distance from each other. The electronic energy includes all electric interactions and the kinetic energy of the electrons. This energy does not include translation, rotation, or vibration of the the molecule.

Total electronic energy = -153.2366438867 Hartrees