GENERAL INFO

Title: /noDisp/complexes sin-scro3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15322
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: Cr 1 O 3 S 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -2 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -710.931525875 Eh

Energy Value Units
HF -710.9315259 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.6605 0.0004 0.0000 2.6605

Quadrupole moment

XX YY ZZ XY XZ YZ
-77.2487 -64.3426 -64.3421 -0.0008 0.0000 0.0000

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