GENERAL INFO

Title: /noDisp/complexes sin-iauph3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15554
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 3 Au 1 I 1 P 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: -490.428891225 Eh

Energy Value Units
HF -490.4288912 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0036 8.0371 0.0000 8.0371

Quadrupole moment

XX YY ZZ XY XZ YZ
-59.5011 -45.0991 -59.5022 -0.0077 0.0000 0.0000

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