GENERAL INFO

Title: /noDisp/complexes sin-foso3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15613
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: F 1 O 3 Os 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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -415.840291319 Eh

Energy Value Units
HF -415.8402913 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0991 0.0008 0.0006 0.0991

Quadrupole moment

XX YY ZZ XY XZ YZ
-40.0034 -39.6556 -39.6556 0.0005 0.0003 0.0002

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