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O1 - P2
The ion charge is -1.

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.

Atomic Charges and Dipole Moment

O1 charge=-0.517
P2 charge=-0.854
H3 charge= 0.314
H4 charge= 0.057
with a dipole moment of 2.31721 Debye

Bond Lengths:

between O1 and P2: distance=1.832 ang___ between O1 and H3: distance=0.971 ang___
between P2 and H4: distance=1.470 ang___

Bond Angles:

for H3-O1-P2: angle=102.0 deg___ for H4-P2-O1: angle=96.88 deg___

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Bond Orders (Mulliken):

between O1 and P2: order=0.316___ between O1 and H3: order=0.897___
between P2 and H4: order=0.922___

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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.

Hybridization in the Best Lewis Structure

1. A bonding orbital for O1-P2 with 1.9961 electrons
__has 81.02% O 1 character in a sp2.90 hybrid
__has 18.98% P 2 character in a s0.33 p3 d0.06 hybrid

2. A bonding orbital for O1-H3 with 1.9970 electrons
__has 72.14% O 1 character in a s0.77 p3 hybrid
__has 27.86% H 3 character in a s orbital

3. A bonding orbital for P2-H4 with 1.9888 electrons
__has 42.88% P 2 character in a s0.47 p3 hybrid
__has 57.12% H 4 character in a s orbital

10. A lone pair orbital for O1 with 1.9967 electrons
__made from a sp0.87 hybrid

11. A lone pair orbital for O1 with 1.9828 electrons
__made from a p3 hybrid

12. A lone pair orbital for P2 with 1.9957 electrons
__made from a sp0.41 hybrid

13. A lone pair orbital for P2 with 1.9909 electrons
__made from a s0.23 p3 hybrid

-With core pairs on: O 1 P 2 P 2 P 2 P 2 P 2 -

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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 P2-H4 with the antibonding acceptor orbital, 65, for O1-P2 is 20.2 kJ/mol.

The interaction of the second lone pair donor orbital, 11, for O1 with the antibonding acceptor orbital, 67, for P2-H4 is 22.9 kJ/mol.

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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.

17 ----- 10.07

16 ----- 7.372
15 ----- 7.028

14 ----- 4.646

13 -^-v- 2.300

12 -^-v- 0.114

11 -^-v- -1.782

10 -^-v- -2.937

9 -^-v- -5.018

8 -^-v- -7.897

7 -^-v- -18.17

6 -^-v- -115.7

5 -^-v- -116.0

4 -^-v- -116.2

3 -^-v- -163.5

2 -^-v- -500.3

1 -^-v- -2061.

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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 = -417.8402351391 Hartrees

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