GENERAL INFO

Title: /Au_Ch TS8d'-7d'
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/27340
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
6.6986 2.9330 0.0080 7.3126

Quadrupole moment

XX YY ZZ XY XZ YZ
-198.0468 -148.7046 -150.8100 -11.0125 4.7949 1.9305

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.6986 2.9330 0.0080 7.3126

Quadrupole moment

XX YY ZZ XY XZ YZ
-198.0468 -148.7046 -150.8100 -11.0124 4.7948 1.9305

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