GENERAL INFO

Title: i84
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193021
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 0.0000 -7.7398 7.7398

Quadrupole moment

XX YY ZZ XY XZ YZ
-115.9125 -150.2287 -162.1633 -13.7963 0.0015 0.0000

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0001 0.0000 -7.7398 7.7398

Quadrupole moment

XX YY ZZ XY XZ YZ
-115.9125 -150.2287 -162.1633 -13.7963 0.0015 0.0000

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