Ge4 planar

Ge4 - Ge3
\ \ |
Ge1 - 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=-0.008
GE2 charge= 0.008
GE3 charge=-0.009
GE4 charge= 0.009
with a dipole moment of 0.01092 Debye

Bond Lengths:

between GE1 and GE2: distance=2.513 ang___ between GE1 and GE3: distance=2.645 ang___
between GE1 and GE4: distance=2.512 ang___ between GE2 and GE3: distance=2.512 ang___
between GE2 and GE4: distance=4.273 ang___ between GE3 and GE4: distance=2.513 ang___

Bond Angles:

for GE3-GE1-GE2: angle=58.21 deg___ for GE4-GE1-GE2: angle=116.4 deg___

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Bond Orders (Mulliken):

between GE1 and GE2: order=0.814___ between GE1 and GE3: order=0.898___
between GE1 and GE4: order=0.815___ between GE2 and GE3: order=0.815___
between GE2 and GE4: order=0.347___ between GE3 and GE4: order=0.814___

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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 antibonding orbital for Ge1-Ge3 with 1.9903 electrons
__has 50.01% Ge 1 character in a sp0.73 hybrid
__has 49.99% Ge 3 character in a sp0.73 hybrid

2. A bonding orbital for Ge1-Ge3 with 1.3781 electrons
__has 49.99% Ge 1 character in a sp0.73 hybrid
__has 50.01% Ge 3 character in a sp0.73 hybrid

59. A lone pair orbital for Ge1 with 1.0552 electrons
__made from a p-pi orbital ( 98.79% p 1.21% d)

60. A lone pair orbital for Ge1 with 0.9008 electrons
__made from a sp1.28 hybrid

61. A lone pair orbital for Ge1 with 0.6778 electrons
__made from a p-pi orbital ( 98.27% p 1.73% d)

62. A lone pair orbital for Ge2 with 1.9719 electrons
__made from a sp0.19 hybrid

63. A lone pair orbital for Ge2 with 0.8127 electrons
__made from a s0.60 p3 d0.05 hybrid

64. A lone pair orbital for Ge2 with 0.5601 electrons
__made from a p-pi orbital ( 98.88% p 1.12% d)

65. A lone pair orbital for Ge2 with 0.3228 electrons
__made from a p-pi orbital ( 98.41% p 1.59% d)

66. A lone pair orbital for Ge3 with 1.0553 electrons
__made from a p-pi orbital ( 98.79% p 1.21% d)

67. A lone pair orbital for Ge3 with 0.9009 electrons
__made from a sp1.28 hybrid

68. A lone pair orbital for Ge3 with 0.6779 electrons
__made from a p-pi orbital ( 98.27% p 1.73% d)

69. A lone pair orbital for Ge4 with 0.8127 electrons
__made from a s0.60 p3 d0.05 hybrid

70. A lone pair orbital for Ge4 with 0.5601 electrons
__made from a p-pi orbital ( 98.88% p 1.12% d)

71. A lone pair orbital for Ge4 with 0.3227 electrons
__made from a p-pi orbital ( 98.41% p 1.59% d)

72. A lone pair orbital for Ge4 with 1.9719 electrons
__made from a sp0.19 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 antibonding donor orbital, 1, for Ge1-Ge3 with the second lone pair acceptor orbital, 60, for Ge1 is 336. kJ/mol.

The interaction of antibonding donor orbital, 1, for Ge1-Ge3 with the second lone pair acceptor orbital, 67, for Ge3 is 336. kJ/mol.

The interaction of bonding donor orbital, 2, for Ge1-Ge3 with the second lone pair acceptor orbital, 60, for Ge1 is 996. kJ/mol.

The interaction of bonding donor orbital, 2, for Ge1-Ge3 with the second lone pair acceptor orbital, 67, for Ge3 is 996. kJ/mol.

The interaction of antibonding donor orbital, 1, for Ge1-Ge3 with the second lone pair acceptor orbital, 63, for Ge2 is 60.1 kJ/mol.

The interaction of bonding donor orbital, 2, for Ge1-Ge3 with the third lone pair acceptor orbital, 64, for Ge2 is 207. kJ/mol.

The interaction of lone pair donor orbital, 59, for Ge1 with the third lone pair acceptor orbital, 64, for Ge2 is 778. kJ/mol.

The interaction of the second lone pair donor orbital, 60, for Ge1 with the second lone pair acceptor orbital, 63, for Ge2 is 3395 kJ/mol.

The interaction of the second lone pair donor orbital, 60, for Ge1 with the third lone pair acceptor orbital, 64, for Ge2 is 178. kJ/mol.

The interaction of the third lone pair donor orbital, 61, for Ge1 with the 4th lone pair acceptor orbital, 65, for Ge2 is 513. kJ/mol.

The interaction of lone pair donor orbital, 66, for Ge3 with the third lone pair acceptor orbital, 64, for Ge2 is 778. kJ/mol.

The interaction of the second lone pair donor orbital, 67, for Ge3 with the second lone pair acceptor orbital, 63, for Ge2 is 3399 kJ/mol.

The interaction of the second lone pair donor orbital, 67, for Ge3 with the third lone pair acceptor orbital, 64, for Ge2 is 174. kJ/mol.

The interaction of the third lone pair donor orbital, 68, for Ge3 with the 4th lone pair acceptor orbital, 65, for Ge2 is 514. kJ/mol.

The interaction of antibonding donor orbital, 1, for Ge1-Ge3 with the second lone pair acceptor orbital, 69, for Ge4 is 60.1 kJ/mol.

The interaction of bonding donor orbital, 2, for Ge1-Ge3 with the third lone pair acceptor orbital, 70, for Ge4 is 207. kJ/mol.

The interaction of lone pair donor orbital, 59, for Ge1 with the third lone pair acceptor orbital, 70, for Ge4 is 778. kJ/mol.

The interaction of the second lone pair donor orbital, 60, for Ge1 with the second lone pair acceptor orbital, 69, for Ge4 is 3399 kJ/mol.

The interaction of the second lone pair donor orbital, 60, for Ge1 with the third lone pair acceptor orbital, 70, for Ge4 is 174. kJ/mol.

The interaction of the third lone pair donor orbital, 61, for Ge1 with the 4th lone pair acceptor orbital, 71, for Ge4 is 514. kJ/mol.

The interaction of lone pair donor orbital, 66, for Ge3 with the third lone pair acceptor orbital, 70, for Ge4 is 778. kJ/mol.

The interaction of the second lone pair donor orbital, 67, for Ge3 with the second lone pair acceptor orbital, 69, for Ge4 is 3393 kJ/mol.

The interaction of the second lone pair donor orbital, 67, for Ge3 with the third lone pair acceptor orbital, 70, for Ge4 is 178. kJ/mol.

The interaction of the third lone pair donor orbital, 68, for Ge3 with the 4th lone pair acceptor orbital, 71, for Ge4 is 513. kJ/mol.

The interaction of lone pair donor orbital, 62, for Ge2 with the lone pair acceptor orbital, 59, for Ge1 is 78.7 kJ/mol.

The interaction of lone pair donor orbital, 62, for Ge2 with the second lone pair acceptor orbital, 60, for Ge1 is 23.9 kJ/mol.

The interaction of lone pair donor orbital, 62, for Ge2 with the lone pair acceptor orbital, 66, for Ge3 is 79.3 kJ/mol.

The interaction of lone pair donor orbital, 62, for Ge2 with the second lone pair acceptor orbital, 67, for Ge3 is 23.6 kJ/mol.

The interaction of lone pair donor orbital, 62, for Ge2 with the second lone pair acceptor orbital, 63, for Ge2 is 150. kJ/mol.

The interaction of lone pair donor orbital, 62, for Ge2 with the second lone pair acceptor orbital, 69, for Ge4 is 3.84 kJ/mol.

The interaction of lone pair donor orbital, 72, for Ge4 with the lone pair acceptor orbital, 59, for Ge1 is 79.2 kJ/mol.

The interaction of lone pair donor orbital, 72, for Ge4 with the second lone pair acceptor orbital, 60, for Ge1 is 23.6 kJ/mol.

The interaction of lone pair donor orbital, 72, for Ge4 with the lone pair acceptor orbital, 66, for Ge3 is 78.7 kJ/mol.

The interaction of lone pair donor orbital, 72, for Ge4 with the second lone pair acceptor orbital, 67, for Ge3 is 23.9 kJ/mol.

The interaction of lone pair donor orbital, 72, for Ge4 with the second lone pair acceptor orbital, 63, for Ge2 is 3.84 kJ/mol.

The interaction of lone pair donor orbital, 72, for Ge4 with the second lone pair acceptor orbital, 69, for Ge4 is 150. 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 ----- -2.107

67 ----- -3.054
66 ----- -3.070


65 ----- -4.194


64 -^-v- -5.372

63 -^-v- -5.581

62 -^-v- -6.015
61 -^-v- -6.098


60 -^-v- -9.374


59 -^-v- -10.72


58 -^-v- -12.34


57 -^-v- -14.84


56 -^-v- -30.45
55 -^-v- -30.46
54 -^-v- -30.51
53 -^-v- -30.52
52 -^-v- -30.57 51 -^-v- -30.57
50 -^-v- -30.59
49 -^-v- -30.62
48 -^-v- -30.63
47 -^-v- -30.66

46 -^-v- -30.95 45 -^-v- -30.95
44 -^-v- -30.98 43 -^-v- -30.98
42 -^-v- -31.04 41 -^-v- -31.04
40 -^-v- -31.12 39 -^-v- -31.12
38 -^-v- -31.14 37 -^-v- -31.14


36 -^-v- -114.8 35 -^-v- -114.8
34 -^-v- -114.9 33 -^-v- -114.9

32 -^-v- -115.0 31 -^-v- -115.0

30 -^-v- -115.2 29 -^-v- -115.2

28 -^-v- -115.4 27 -^-v- -115.4

26 -^-v- -115.5 25 -^-v- -115.5


24 -^-v- -163.0 23 -^-v- -163.0

22 -^-v- -163.4 21 -^-v- -163.4


20 -^-v- -1192. 19 -^-v- -1192.
18 -^-v- -1192. 17 -^-v- -1192.
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- -1337. 5 -^-v- -1337.


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

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

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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 = -8307.5918939813 Hartrees

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