GENERAL INFO

Title: cluster-M06-L-6
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/9812
Program: Gaussian 09 EM64L-G09RevD.01
Author: Ortuño, Manuel
Formula: C36H20ClO24Ru2
Calculation type: Geometry optimization Minimum
Method(s): UM06L

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 6

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -3839.58221330 Eh

Spin

S^2

S**2 before annihilation = 8.7857

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0002 0.0022 0.2374 0.2374

Quadrupole moment

XX YY ZZ XY XZ YZ
-367.2748 -370.1473 -382.5570 -0.0219 -0.0004 -0.0042

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