GENERAL INFO

Title: i79
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193026
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
0.0001 -0.0001 0.6864 0.6864

Quadrupole moment

XX YY ZZ XY XZ YZ
-69.2202 -82.3813 -96.1217 8.6722 0.0000 0.0001

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0001 -0.0001 0.6864 0.6864

Quadrupole moment

XX YY ZZ XY XZ YZ
-69.2202 -82.3813 -96.1217 8.6722 0.0000 0.0001

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