## HOF

 H3 | O1 - F2
Tell me about atomic charges, the dipole moment, bond lengths, angles, bond orders,
or molecular orbital energies.
Tell me about the best Lewis structure.

## Atomic Charges and Dipole Moment

O1 charge=-0.309
F2 charge=-0.099
H3 charge= 0.408
with a dipole moment of 2.13266 Debye

## Bond Lengths:

between O1 and F2: distance=1.466 ang___ between O1 and H3: distance=0.986 ang___

## Bond Angles:

for H3-O1-F2: angle=97.53 deg___

## Bond Orders (Mulliken):

between O1 and F2: order=0.789___ between O1 and H3: order=0.868___

## 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-F2 with 1.9989 electrons
__has 40.03% O 1 character in a p3 hybrid
__has 59.97% F 2 character in a p3 hybrid

2. A bonding orbital for O1-H3 with 1.9962 electrons
__has 73.62% O 1 character in a s0.80 p3 hybrid
__has 26.38% H 3 character in a s orbital

5. A lone pair orbital for O1 with 1.9993 electrons

6. A lone pair orbital for O1 with 1.9979 electrons
__made from a p-pi orbital ( 99.96% p)

7. A lone pair orbital for F2 with 1.9998 electrons

8. A lone pair orbital for F2 with 1.9993 electrons
__made from a p-pi orbital ( 99.99% p)

9. A lone pair orbital for F2 with 1.9983 electrons

-With core pairs on: O 1 F 2 -

#### 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.

13 ----- 8.651

12 ----- 7.555

11 ----- 0.425

10 ----- -4.104

9 -^-v- -7.496

8 -^-v- -9.230

7 -^-v- -11.17

6 -^-v- -12.31

5 -^-v- -14.37

4 -^-v- -24.33

3 -^-v- -30.95

2 -^-v- -509.5

1 -^-v- -657.0