GENERAL INFO

Title: /Multiplicity/Mo7S24 1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/414210
Program: Gaussian 16 ES64L-G16RevC.02
Author: Rabbani, S M Gulam
Formula: Mo7S24
Calculation type: Geometry optimization Minimum
Method(s): UM06L

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -6 1

Full point group
Full point group C2H NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -10032.3114861 Eh

Spin

S^2

S**2 before annihilation = -0.0000

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 -0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-665.4191 -772.0166 -883.3488 156.0193 0.0000 0.0000

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