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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