## BH_{4}^{+}

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.

B1 charge= 0.411

H2 charge= 0.234

H3 charge= 0.058

H4 charge= 0.059

H5 charge= 0.235

with a dipole moment of 2.44381 Debye

between B1 and H2: distance=1.381 ang___
between B1 and H3: distance=1.194 ang___

between B1 and H4: distance=1.194 ang___
between B1 and H5: distance=1.380 ang___

between H2 and H5: distance=0.862 ang___

for H3-B1-H2: angle=92.82 deg___
for H4-B1-H2: angle=129.1 deg___

for H5-B1-H2: angle=36.37 deg___
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between B1 and H2: order=0.382___
between B1 and H3: order=0.956___

between B1 and H4: order=0.955___
between B1 and H5: order=0.382___

between H2 and H5: order=0.533___
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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.
Please note that your structure can't be well described by a single
Lewis structure, because of extensive delocalization.

### Hybridization in the Best Lewis Structure

1. A bonding orbital for B1-H3 with 1.9729 electrons

__has 50.65% B 1 character in a sp1.27 hybrid

__has 49.35% H 3 character in a s orbital

2. A bonding orbital for B1-H4 with 1.9728 electrons

__has 50.64% B 1 character in a sp1.27 hybrid

__has 49.36% H 4 character in a s orbital

3. A bonding orbital for H2-H5 with 1.5202 electrons

__has 49.98% H 2 character in a s orbital

__has 50.02% H 5 character in a s orbital

5. A lone pair orbital for B1 with 0.4604 electrons

__made from a s0.41 p3 hybrid

-With core pairs on: B 1 -

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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, 1, for B1-H3 with
the antibonding acceptor orbital, 48, for H2-H5 is 61.3 kJ/mol.

The interaction of bonding donor orbital, 2, for B1-H4 with
the antibonding acceptor orbital, 48, for H2-H5 is 61.6 kJ/mol.

The interaction of bonding donor orbital, 3, for H2-H5 with
the lone pair acceptor orbital, 5, for B1 is 1925 kJ/mol.

The interaction of bonding donor orbital, 3, for H2-H5 with
the second lone pair acceptor orbital, 6, for B1 is 4.76 kJ/mol.

The interaction of bonding donor orbital, 3, for H2-H5 with
the antibonding acceptor orbital, 46, for B1-H3 is 13.7 kJ/mol.

The interaction of bonding donor orbital, 3, for H2-H5 with
the antibonding acceptor orbital, 47, for B1-H4 is 13.7 kJ/mol.

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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.
8 ----- -4.126

7 ----- -7.097

6 ----- -7.496

5 ----- -11.61

4 -^-v- -17.52

3 -^-v- -18.23

2 -^-v- -24.05

1 -^-v- -185.4

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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 = -26.8353722955 Hartrees

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