Ge4 linear

Ge4 - Ge1 - Ge2 - Ge3
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=-0.105
GE2 charge=-0.105
GE3 charge= 0.105
GE4 charge= 0.105
with a dipole moment of 0.00196 Debye

Bond Lengths:

between GE1 and GE2: distance=2.308 ang___ between GE1 and GE3: distance=4.621 ang___
between GE1 and GE4: distance=2.312 ang___ between GE2 and GE3: distance=2.312 ang___
between GE2 and GE4: distance=4.621 ang___ between GE3 and GE4: distance=6.933 ang___

Bond Angles:

for GE3-GE2-GE1: angle=179.4 deg___ for GE4-GE1-GE2: angle=179.4 deg___

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Bond Orders (Mulliken):

between GE1 and GE2: order=-3.125___ between GE1 and GE3: order=0.120___
between GE1 and GE4: order=3.031___ between GE2 and GE3: order=3.031___
between GE2 and GE4: order=0.120___ between GE3 and GE4: order=0.277___

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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 1.9748 electrons
__has 50.00% Ge 1 character in a sp1.35 hybrid
__has 50.00% Ge 2 character in a sp1.35 hybrid

2. A bonding orbital for Ge1-Ge2 with 1.8242 electrons
__has 50.00% Ge 1 character in a p3 hybrid
__has 50.00% Ge 2 character in a p3 hybrid

3. A bonding orbital for Ge1-Ge4 with 1.9702 electrons
__has 69.14% Ge 1 character in a sp0.74 hybrid
__has 30.86% Ge 4 character in a s0.36 p3 hybrid

4. A bonding orbital for Ge1-Ge4 with 1.9631 electrons
__has 51.10% Ge 1 character in a p-pi orbital ( 99.53% p 0.47% d)
__has 48.90% Ge 4 character in a p-pi orbital ( 98.94% p 1.06% d)

5. A bonding orbital for Ge2-Ge3 with 1.9702 electrons
__has 69.14% Ge 2 character in a sp0.74 hybrid
__has 30.86% Ge 3 character in a s0.36 p3 hybrid

6. A bonding orbital for Ge2-Ge3 with 1.9631 electrons
__has 51.10% Ge 2 character in a p-pi orbital ( 99.53% p 0.47% d)
__has 48.90% Ge 3 character in a p-pi orbital ( 98.94% p 1.06% d)

63. A lone pair orbital for Ge3 with 1.9569 electrons
__made from a sp0.11 hybrid

65. A lone pair orbital for Ge4 with 1.9569 electrons
__made from a sp0.11 hybrid

131. A antibonding orbital for Ge1-Ge2 with 0.1137 electrons
__has 50.00% Ge 1 character in a sp1.35 hybrid
__has 50.00% Ge 2 character in a sp1.35 hybrid

-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 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 3 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 Ge 4 -

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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 the second bonding donor orbital, 2, for Ge1-Ge2 with the second lone pair acceptor orbital, 64, for Ge3 is 73.4 kJ/mol.

The interaction of the second bonding donor orbital, 2, for Ge1-Ge2 with the second lone pair acceptor orbital, 66, for Ge4 is 73.4 kJ/mol.

The interaction of the second bonding donor orbital, 4, for Ge1-Ge4 with the second antibonding acceptor orbital, 136, for Ge2-Ge3 is 29.4 kJ/mol.

The interaction of the second bonding donor orbital, 6, for Ge2-Ge3 with the second antibonding acceptor orbital, 134, for Ge1-Ge4 is 29.4 kJ/mol.

The interaction of lone pair donor orbital, 63, for Ge3 with the antibonding acceptor orbital, 131, for Ge1-Ge2 is 98.6 kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge4 with the antibonding acceptor orbital, 131, for Ge1-Ge2 is 98.6 kJ/mol.

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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.

68 ----- -2.926

67 ----- -3.195

66 ----- -3.517


65 ----- -4.996

64 -^-v- -4.668

63 -^-v- -5.537

62 -^-v- -5.826

61 -^-v- -6.469


60 -^-v- -8.954


59 -^-v- -11.67


58 -^-v- -13.37

57 -^-v- -14.32


56 -^-v- -30.87
55 -^-v- -30.91
54 -^-v- -31.01 53 -^-v- -31.01 52 -^-v- -31.01
51 -^-v- -31.02 50 -^-v- -31.02 49 -^-v- -31.03
48 -^-v- -31.13
47 -^-v- -31.14

46 -^-v- -31.26 45 -^-v- -31.26
44 -^-v- -31.28
43 -^-v- -31.33
42 -^-v- -31.36 41 -^-v- -31.36
40 -^-v- -31.46 39 -^-v- -31.46
38 -^-v- -31.51
37 -^-v- -31.54


36 -^-v- -115.3 35 -^-v- -115.3
34 -^-v- -115.3
33 -^-v- -115.3
32 -^-v- -115.4 31 -^-v- -115.4

30 -^-v- -115.6 29 -^-v- -115.6

28 -^-v- -115.7 27 -^-v- -115.7

26 -^-v- -115.8 25 -^-v- -115.8


24 -^-v- -163.4 23 -^-v- -163.4

22 -^-v- -163.8 21 -^-v- -163.8


20 -^-v- -1193. 19 -^-v- -1193. 18 -^-v- -1193. 17 -^-v- -1193.
16 -^-v- -1193. 15 -^-v- -1193.

14 -^-v- -1193. 13 -^-v- -1193.
12 -^-v- -1193. 11 -^-v- -1193. 10 -^-v- -1193. 9 -^-v- -1193.


8 -^-v- -1337. 7 -^-v- -1337.

6 -^-v- -1338. 5 -^-v- -1338.


4 -^-v- -10786 3 -^-v- -10786

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

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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 = -8307.4913468912 Hartrees

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