GENERAL INFO

Title: /noDisp/complexes sin-h2aucl3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15086
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 2 Cl 3 Au 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -1517.54394143 Eh

Energy Value Units
HF -1517.5439414 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0001 2.9101 0.0000 2.9101

Quadrupole moment

XX YY ZZ XY XZ YZ
-63.7148 -58.1221 -73.5444 0.0004 0.0000 0.0000

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