GENERAL INFO

Title: /noDisp/complexes sin-cocro3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15668
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 Cr 1 O 4
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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -426.012207162 Eh

Energy Value Units
HF -426.0122072 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.0405 0.0000 0.0000 4.0405

Quadrupole moment

XX YY ZZ XY XZ YZ
-37.9383 -45.9435 -45.9362 -0.0001 -0.0018 0.0000

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