GENERAL INFO

Title: i18
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/192968
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
-0.0154 -0.0168 -0.0241 0.0332

Quadrupole moment

XX YY ZZ XY XZ YZ
-136.7112 -123.6812 -134.7686 46.6710 0.1805 0.3888

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0062 -0.0009 -0.0216 0.0225

Quadrupole moment

XX YY ZZ XY XZ YZ
-136.7701 -123.6656 -134.7647 46.6984 0.1736 0.3956

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