GENERAL INFO

Title: /initial_complexes Complex_7_H
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/198084
Program: Gaussian 09 AM64L-G09RevC.01
Author: Ortuño Maqueda, Manuel Angel
Formula: C52H50P4Ru
Calculation type: Geometry optimization Minimum
Method(s): RM06

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -3470.38070251 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0158 2.4751 -0.0030 2.4751

Quadrupole moment

XX YY ZZ XY XZ YZ
-348.5169 -348.0821 -359.4204 0.1886 4.7262 -0.1132

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