Ge4 tetrahedral

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=-0.000
GE2 charge= 0.000
GE3 charge= 0.000
GE4 charge=-0.000
with a dipole moment of 0.00625 Debye

Bond Lengths:

between GE1 and GE2: distance=2.697 ang___ between GE1 and GE3: distance=2.699 ang___
between GE1 and GE4: distance=2.695 ang___ between GE2 and GE3: distance=2.699 ang___
between GE2 and GE4: distance=2.698 ang___ between GE3 and GE4: distance=2.698 ang___

Bond Angles:

for GE3-GE1-GE2: angle=60.02 deg___ for GE4-GE1-GE2: angle=60.04 deg___

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Bond Orders (Mulliken):

between GE1 and GE2: order=0.720___ between GE1 and GE3: order=0.727___
between GE1 and GE4: order=0.722___ between GE2 and GE3: order=0.712___
between GE2 and GE4: order=0.718___ between GE3 and GE4: order=0.720___

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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

57. A lone pair orbital for Ge1 with 1.9959 electrons
__made from a sp0.17 hybrid

58. A lone pair orbital for Ge1 with 0.8668 electrons
__made from a s0.52 p3 d0.05 hybrid

59. A lone pair orbital for Ge1 with 0.5676 electrons
__made from a p-pi orbital ( 97.62% p 2.38% d)

60. A lone pair orbital for Ge1 with 0.5659 electrons
__made from a p-pi orbital ( 97.62% p 2.38% d)

61. A lone pair orbital for Ge2 with 1.9960 electrons
__made from a sp0.17 hybrid

62. A lone pair orbital for Ge2 with 0.8663 electrons
__made from a s0.52 p3 d0.05 hybrid

63. A lone pair orbital for Ge2 with 0.5674 electrons
__made from a p-pi orbital ( 97.63% p 2.37% d)

64. A lone pair orbital for Ge2 with 0.5643 electrons
__made from a p-pi orbital ( 97.63% p 2.37% d)

65. A lone pair orbital for Ge3 with 1.9960 electrons
__made from a sp0.17 hybrid

66. A lone pair orbital for Ge3 with 0.8660 electrons
__made from a s0.52 p3 d0.05 hybrid

67. A lone pair orbital for Ge3 with 0.5670 electrons
__made from a p-pi orbital ( 97.63% p 2.37% d)

68. A lone pair orbital for Ge3 with 0.5643 electrons
__made from a p-pi orbital ( 97.63% p 2.37% d)

69. A lone pair orbital for Ge4 with 1.9959 electrons
__made from a sp0.17 hybrid

70. A lone pair orbital for Ge4 with 0.8667 electrons
__made from a s0.52 p3 d0.05 hybrid

71. A lone pair orbital for Ge4 with 0.5679 electrons
__made from a p-pi orbital ( 97.63% p 2.37% d)

72. A lone pair orbital for Ge4 with 0.5657 electrons
__made from a p-pi orbital ( 97.62% p 2.38% d)

-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 lone pair donor orbital, 57, for Ge1 with the second lone pair acceptor orbital, 58, for Ge1 is 143. kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the second lone pair acceptor orbital, 62, for Ge2 is 31.5 kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the third lone pair acceptor orbital, 63, for Ge2 is 5.56 kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the 4th lone pair acceptor orbital, 64, for Ge2 is 23.2 kJ/mol.

The interaction of the second lone pair donor orbital, 58, for Ge1 with the third lone pair acceptor orbital, 63, for Ge2 is 67.6 kJ/mol.

The interaction of the second lone pair donor orbital, 58, for Ge1 with the 4th lone pair acceptor orbital, 64, for Ge2 is 283. kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the second lone pair acceptor orbital, 66, for Ge3 is 31.0 kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the third lone pair acceptor orbital, 67, for Ge3 is 26.2 kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the 4th lone pair acceptor orbital, 68, for Ge3 is 2.46 kJ/mol.

The interaction of the second lone pair donor orbital, 58, for Ge1 with the third lone pair acceptor orbital, 67, for Ge3 is 328. kJ/mol.

The interaction of the second lone pair donor orbital, 58, for Ge1 with the 4th lone pair acceptor orbital, 68, for Ge3 is 31.1 kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the second lone pair acceptor orbital, 70, for Ge4 is 31.4 kJ/mol.

The interaction of lone pair donor orbital, 57, for Ge1 with the third lone pair acceptor orbital, 71, for Ge4 is 28.9 kJ/mol.

The interaction of the second lone pair donor orbital, 58, for Ge1 with the third lone pair acceptor orbital, 71, for Ge4 is 362. kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the second lone pair acceptor orbital, 58, for Ge1 is 31.1 kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the third lone pair acceptor orbital, 59, for Ge1 is 28.9 kJ/mol.

The interaction of the second lone pair donor orbital, 62, for Ge2 with the third lone pair acceptor orbital, 59, for Ge1 is 366. kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the second lone pair acceptor orbital, 62, for Ge2 is 142. kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the second lone pair acceptor orbital, 66, for Ge3 is 31.2 kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the 4th lone pair acceptor orbital, 68, for Ge3 is 27.3 kJ/mol.

The interaction of the second lone pair donor orbital, 62, for Ge2 with the third lone pair acceptor orbital, 67, for Ge3 is 17.1 kJ/mol.

The interaction of the second lone pair donor orbital, 62, for Ge2 with the 4th lone pair acceptor orbital, 68, for Ge3 is 338. kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the second lone pair acceptor orbital, 70, for Ge4 is 31.2 kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the third lone pair acceptor orbital, 71, for Ge4 is 6.19 kJ/mol.

The interaction of lone pair donor orbital, 61, for Ge2 with the 4th lone pair acceptor orbital, 72, for Ge4 is 22.5 kJ/mol.

The interaction of the second lone pair donor orbital, 62, for Ge2 with the third lone pair acceptor orbital, 71, for Ge4 is 76.4 kJ/mol.

The interaction of the second lone pair donor orbital, 62, for Ge2 with the 4th lone pair acceptor orbital, 72, for Ge4 is 279. kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the second lone pair acceptor orbital, 58, for Ge1 is 31.2 kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the third lone pair acceptor orbital, 59, for Ge1 is 6.40 kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the 4th lone pair acceptor orbital, 60, for Ge1 is 22.3 kJ/mol.

The interaction of the second lone pair donor orbital, 66, for Ge3 with the third lone pair acceptor orbital, 59, for Ge1 is 79.3 kJ/mol.

The interaction of the second lone pair donor orbital, 66, for Ge3 with the 4th lone pair acceptor orbital, 60, for Ge1 is 278. kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the second lone pair acceptor orbital, 62, for Ge2 is 31.1 kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the third lone pair acceptor orbital, 63, for Ge2 is 8.82 kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the 4th lone pair acceptor orbital, 64, for Ge2 is 19.9 kJ/mol.

The interaction of the second lone pair donor orbital, 66, for Ge3 with the third lone pair acceptor orbital, 63, for Ge2 is 109. kJ/mol.

The interaction of the second lone pair donor orbital, 66, for Ge3 with the 4th lone pair acceptor orbital, 64, for Ge2 is 249. kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the second lone pair acceptor orbital, 66, for Ge3 is 142. kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the second lone pair acceptor orbital, 70, for Ge4 is 31.2 kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the third lone pair acceptor orbital, 71, for Ge4 is 8.28 kJ/mol.

The interaction of lone pair donor orbital, 65, for Ge3 with the 4th lone pair acceptor orbital, 72, for Ge4 is 20.5 kJ/mol.

The interaction of the second lone pair donor orbital, 66, for Ge3 with the third lone pair acceptor orbital, 71, for Ge4 is 103. kJ/mol.

The interaction of the second lone pair donor orbital, 66, for Ge3 with the 4th lone pair acceptor orbital, 72, for Ge4 is 256. kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the second lone pair acceptor orbital, 58, for Ge1 is 31.7 kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the third lone pair acceptor orbital, 59, for Ge1 is 7.94 kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the 4th lone pair acceptor orbital, 60, for Ge1 is 20.9 kJ/mol.

The interaction of the second lone pair donor orbital, 70, for Ge4 with the third lone pair acceptor orbital, 59, for Ge1 is 97.5 kJ/mol.

The interaction of the second lone pair donor orbital, 70, for Ge4 with the 4th lone pair acceptor orbital, 60, for Ge1 is 258. kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the second lone pair acceptor orbital, 62, for Ge2 is 31.0 kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the third lone pair acceptor orbital, 63, for Ge2 is 28.7 kJ/mol.

The interaction of the second lone pair donor orbital, 70, for Ge4 with the third lone pair acceptor orbital, 63, for Ge2 is 360. kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the second lone pair acceptor orbital, 66, for Ge3 is 31.3 kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the third lone pair acceptor orbital, 67, for Ge3 is 15.3 kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the 4th lone pair acceptor orbital, 68, for Ge3 is 13.3 kJ/mol.

The interaction of the second lone pair donor orbital, 70, for Ge4 with the third lone pair acceptor orbital, 67, for Ge3 is 190. kJ/mol.

The interaction of the second lone pair donor orbital, 70, for Ge4 with the 4th lone pair acceptor orbital, 68, for Ge3 is 165. kJ/mol.

The interaction of lone pair donor orbital, 69, for Ge4 with the second lone pair acceptor orbital, 70, for Ge4 is 143. 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 ----- -1.327 67 ----- -1.331


66 ----- -4.787 65 ----- -4.793

64 -^-v- -5.409 63 -^-v- -5.413 62 -^-v- -5.418

61 -^-v- -6.022


60 -^-v- -10.94 59 -^-v- -10.95 58 -^-v- -10.95


57 -^-v- -15.00


56 -^-v- -30.87 55 -^-v- -30.87 54 -^-v- -30.87 53 -^-v- -30.88 52 -^-v- -30.88 51 -^-v- -30.88
50 -^-v- -30.95 49 -^-v- -30.95
48 -^-v- -30.98 47 -^-v- -30.98 46 -^-v- -30.98 45 -^-v- -30.98 44 -^-v- -30.99 43 -^-v- -30.99 42 -^-v- -30.99
41 -^-v- -31.02 40 -^-v- -31.02 39 -^-v- -31.02 38 -^-v- -31.03 37 -^-v- -31.03


36 -^-v- -115.2 35 -^-v- -115.2 34 -^-v- -115.2 33 -^-v- -115.2
32 -^-v- -115.3 31 -^-v- -115.3 30 -^-v- -115.3 29 -^-v- -115.3 28 -^-v- -115.3 27 -^-v- -115.3 26 -^-v- -115.3 25 -^-v- -115.3


24 -^-v- -163.4 23 -^-v- -163.4 22 -^-v- -163.4 21 -^-v- -163.4


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- -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 = -8307.5294555694 Hartrees

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