GENERAL INFO

Title: i62
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/192971
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
-0.5359 0.1341 -0.1877 0.5835

Quadrupole moment

XX YY ZZ XY XZ YZ
-281.2123 -112.7731 -135.1078 -21.3218 -0.2847 0.0377

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0021 0.0012 0.0094 0.0097

Quadrupole moment

XX YY ZZ XY XZ YZ
-280.6806 -112.8029 -135.0709 -21.2003 -0.0332 -0.0012

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