GENERAL INFO

Title: /noDisp/complexes sin-oincl2
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15047
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: Cl 2 In 1 O 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: -997.681911524 Eh

Energy Value Units
HF -997.6819115 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0069 -2.5051 0.0000 2.5051

Quadrupole moment

XX YY ZZ XY XZ YZ
-44.8145 -72.9020 -62.2932 0.0183 0.0000 0.0000

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