GENERAL INFO

Title: /noDisp/complexes sin-iconh35
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15553
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 15 Co 1 I 1 N 5
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: -439.634328706 Eh

Energy Value Units
HF -439.6343287 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-14.2903 0.0420 0.0088 14.2904

Quadrupole moment

XX YY ZZ XY XZ YZ
-26.7897 -33.4819 -33.5583 0.1634 0.0138 -0.0033

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