## P4

 P3 - P4 | / | P1 - P2
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

P1 charge= 0.000
P2 charge= 0.000
P3 charge= 0.000
P4 charge=-0.001
with a dipole moment of 0.00583 Debye

## Bond Lengths:

between P1 and P2: distance=2.234 ang___ between P1 and P3: distance=2.234 ang___
between P1 and P4: distance=2.233 ang___ between P2 and P3: distance=2.234 ang___
between P2 and P4: distance=2.234 ang___ between P3 and P4: distance=2.234 ang___

## Bond Angles:

for P3-P1-P2: angle=59.99 deg___ for P4-P1-P2: angle=60.00 deg___

## Bond Orders (Mulliken):

between P1 and P2: order=0.959___ between P1 and P3: order=0.959___
between P1 and P4: order=0.959___ between P2 and P3: order=0.959___
between P2 and P4: order=0.959___ between P3 and P4: order=0.959___

## 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 P1-P2 with 1.9875 electrons
__has 50.00% P 1 character in a s0.22 p3 hybrid
__has 50.00% P 2 character in a s0.22 p3 hybrid

2. A bonding orbital for P1-P3 with 1.9875 electrons
__has 50.00% P 1 character in a s0.22 p3 hybrid
__has 50.00% P 3 character in a s0.22 p3 hybrid

3. A bonding orbital for P1-P4 with 1.9875 electrons
__has 50.00% P 1 character in a s0.22 p3 hybrid
__has 50.00% P 4 character in a s0.22 p3 hybrid

4. A bonding orbital for P2-P3 with 1.9875 electrons
__has 50.00% P 2 character in a s0.22 p3 hybrid
__has 50.00% P 3 character in a s0.22 p3 hybrid

5. A bonding orbital for P2-P4 with 1.9875 electrons
__has 50.00% P 2 character in a s0.22 p3 hybrid
__has 50.00% P 4 character in a s0.22 p3 hybrid

6. A bonding orbital for P3-P4 with 1.9875 electrons
__has 50.00% P 3 character in a s0.22 p3 hybrid
__has 50.00% P 4 character in a s0.22 p3 hybrid

27. A lone pair orbital for P1 with 1.9951 electrons

28. A lone pair orbital for P2 with 1.9951 electrons

29. A lone pair orbital for P3 with 1.9951 electrons

30. A lone pair orbital for P4 with 1.9951 electrons

-With core pairs on: P 1 P 1 P 1 P 1 P 1 P 2 P 2 P 2 P 2 P 2 P 3 P 3 P 3 P 3 P 3 P 4 P 4 P 4 P 4 P 4 -

#### 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.

## 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.

34 ----- -1.617

33 ----- -1.793 32 ----- -1.796 31 ----- -1.797

30 -^-v- -6.797 29 -^-v- -6.799

28 -^-v- -7.490 27 -^-v- -7.490 26 -^-v- -7.494

25 -^-v- -8.650

24 -^-v- -13.56 23 -^-v- -13.56 22 -^-v- -13.56

21 -^-v- -20.28

20 -^-v- -123.8 19 -^-v- -123.8 18 -^-v- -123.8 17 -^-v- -123.8 16 -^-v- -123.8 15 -^-v- -123.8 14 -^-v- -123.8 13 -^-v- -123.8
12 -^-v- -123.8 11 -^-v- -123.8 10 -^-v- -123.8
9 -^-v- -123.8

8 -^-v- -171.4 7 -^-v- -171.4 6 -^-v- -171.4 5 -^-v- -171.4

4 -^-v- -2068. 3 -^-v- -2068. 2 -^-v- -2068. 1 -^-v- -2068.

## 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 = -1365.6033763246 Hartrees