GENERAL INFO

Title: i75
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193030
Program: Gaussian 09 ES64L-G09RevD.01
Author: Galvao, Tiago
Formula:
Calculation type: Single point Structure
Method(s): RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -2.2576 2.2576

Quadrupole moment

XX YY ZZ XY XZ YZ
-104.0268 -120.2862 -174.3973 3.2289 0.0000 0.0000

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -2.2576 2.2576

Quadrupole moment

XX YY ZZ XY XZ YZ
-104.0268 -120.2862 -174.3973 3.2289 0.0000 0.0000

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