GENERAL INFO

Title: /noDisp/complexes sin-claucl3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15127
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: Cl 4 Au 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -1976.75609145 Eh

Energy Value Units
HF -1976.7560915 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0008 0.0043 0.0000 0.0044

Quadrupole moment

XX YY ZZ XY XZ YZ
-78.8850 -96.2418 -96.2395 0.0000 0.0000 0.0000

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