GENERAL INFO

Title: /noDisp/complexes sin-ncsauph3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15508
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 H 3 Au 1 N 1 P 1 S 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: -970.018097454 Eh

Energy Value Units
HF -970.0180975 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0330 -11.4325 0.0000 11.4326

Quadrupole moment

XX YY ZZ XY XZ YZ
-62.0836 -65.8077 -62.0838 0.0518 0.0000 0.0000

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