## GeH3GeH3, Ge2H6, digermane

 H3 H8 H7 \ | / H5 - GE1 - GE2 / \ H4 H6
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

GE1 charge=-0.024
GE2 charge=-0.024
H3 charge= 0.007
H4 charge= 0.008
H5 charge= 0.007
H6 charge= 0.007
H7 charge= 0.007
H8 charge= 0.008
with a dipole moment of 0.00066 Debye

## Bond Lengths:

between GE1 and GE2: distance=2.472 ang___ between GE1 and H3: distance=1.550 ang___
between GE1 and H4: distance=1.550 ang___ between GE1 and H5: distance=1.551 ang___
between GE2 and H6: distance=1.551 ang___ between GE2 and H7: distance=1.551 ang___
between GE2 and H8: distance=1.550 ang___

## Bond Angles:

for H3-GE1-GE2: angle=110.0 deg___ for H4-GE1-GE2: angle=110.5 deg___
for H5-GE1-GE2: angle=110.0 deg___ for H6-GE2-GE1: angle=110.0 deg___
for H7-GE2-GE1: angle=110.0 deg___ for H8-GE2-GE1: angle=110.4 deg___

## Bond Orders (Mulliken):

between GE1 and GE2: order=0.965___ between GE1 and H3: order=0.988___
between GE1 and H4: order=0.988___ between GE1 and H5: order=0.988___
between GE2 and H6: order=0.988___ between GE2 and H7: order=0.988___
between GE2 and H8: order=0.988___

## 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 Ge1-Ge2 with 1.9687 electrons
__has 50.00% Ge 1 character in a sp2.96 hybrid
__has 50.00% Ge 2 character in a sp2.96 hybrid

2. A bonding orbital for Ge1-H3 with 1.9867 electrons
__has 41.83% Ge 1 character in a sp2.97 hybrid
__has 58.17% H 3 character in a s orbital

3. A bonding orbital for Ge1-H4 with 1.9867 electrons
__has 41.88% Ge 1 character in a sp2.95 hybrid
__has 58.12% H 4 character in a s orbital

4. A bonding orbital for Ge1-H5 with 1.9867 electrons
__has 41.83% Ge 1 character in a sp2.98 hybrid
__has 58.17% H 5 character in a s orbital

5. A bonding orbital for Ge2-H6 with 1.9867 electrons
__has 41.83% Ge 2 character in a sp2.97 hybrid
__has 58.17% H 6 character in a s orbital

6. A bonding orbital for Ge2-H7 with 1.9867 electrons
__has 41.83% Ge 2 character in a sp2.98 hybrid
__has 58.17% H 7 character in a s orbital

7. A bonding orbital for Ge2-H8 with 1.9867 electrons
__has 41.88% Ge 2 character in a sp2.95 hybrid
__has 58.12% H 8 character in a s orbital

-With core pairs on:Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 1 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 2 Ge 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.

39 ----- 0.485

38 ----- 0.341
37 ----- 0.327

36 ----- -0.900

35 -^-v- -6.977

34 -^-v- -7.926
33 -^-v- -7.940

32 -^-v- -8.567
31 -^-v- -8.577

30 -^-v- -12.93

29 -^-v- -14.42

28 -^-v- -30.57
27 -^-v- -30.59 26 -^-v- -30.59
25 -^-v- -30.62 24 -^-v- -30.62
23 -^-v- -30.68 22 -^-v- -30.68
21 -^-v- -30.70 20 -^-v- -30.71
19 -^-v- -30.74

18 -^-v- -114.9 17 -^-v- -114.9 16 -^-v- -114.9 15 -^-v- -114.9
14 -^-v- -115.0 13 -^-v- -115.0

12 -^-v- -163.0 11 -^-v- -163.0

10 -^-v- -1192. 9 -^-v- -1192.
8 -^-v- -1192. 7 -^-v- -1192.
6 -^-v- -1192. 5 -^-v- -1192.

4 -^-v- -1337. 3 -^-v- -1337.

2 -^-v- -10786 1 -^-v- -10786

## 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 = -4157.3669710754 Hartrees