## Ge2 singlet state*

 GE1 E GE2
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=-0.000
GE2 charge= 0.000
with a dipole moment of 0.00124 Debye

## Bond Lengths:

between GE1 and GE2: distance=2.205 ang___

## Bond Orders (Mulliken):

between GE1 and GE2: order=2.383___

## 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. 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 Ge1-Ge2 with 2.0000 electrons
__has 50.00% Ge 1 character in a p-pi orbital ( 99.26% p 0.74% d)
__has 50.00% Ge 2 character in a p-pi orbital ( 99.26% p 0.74% d)

2. A bonding orbital for Ge1-Ge2 with 2.0000 electrons
__has 50.00% Ge 1 character in a p-pi orbital ( 99.26% p 0.74% d)
__has 50.00% Ge 2 character in a p-pi orbital ( 99.26% p 0.74% d)

31. A lone pair orbital for Ge1 with 1.7478 electrons

32. A lone pair orbital for Ge1 with 0.2533 electrons

33. A lone pair orbital for Ge2 with 1.7478 electrons

34. A lone pair orbital for Ge2 with 0.2533 electrons

-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 -

## 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.

36 ----- 0.244

35 ----- -2.382 34 ----- -2.382

33 ----- -5.820

32 -^-v- -5.054 31 -^-v- -5.055

30 -^-v- -10.12

29 -^-v- -13.92

28 -^-v- -31.25 27 -^-v- -31.25
26 -^-v- -31.27 25 -^-v- -31.27

24 -^-v- -31.47 23 -^-v- -31.47 22 -^-v- -31.47

21 -^-v- -31.64 20 -^-v- -31.64

19 -^-v- -31.94

18 -^-v- -115.7 17 -^-v- -115.7 16 -^-v- -115.7 15 -^-v- -115.7

14 -^-v- -116.0
13 -^-v- -116.1

12 -^-v- -163.9 11 -^-v- -163.9

10 -^-v- -1193. 9 -^-v- -1193.
8 -^-v- -1193. 7 -^-v- -1193. 6 -^-v- -1193. 5 -^-v- -1193.

4 -^-v- -1338. 3 -^-v- -1338.

2 -^-v- -10787 1 -^-v- -10787

## 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 = -4153.6711709729 Hartrees