GENERAL INFO

Title: /Au_Ch TS8d-7d
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/27339
Program: Gaussian 09 EM64L-G09RevD.01
Author: Armengol i Relats, Helena
Formula:
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.1744 3.1976 0.3938 6.9644

Quadrupole moment

XX YY ZZ XY XZ YZ
-200.9859 -146.7024 -150.9183 -15.3080 8.8011 1.0178

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.1744 3.1976 0.3938 6.9644

Quadrupole moment

XX YY ZZ XY XZ YZ
-200.9859 -146.7024 -150.9183 -15.3081 8.8011 1.0178

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