GENERAL INFO

Title: /Node_M1 Pristine
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/321130
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ortuño Maqueda, Manuel Angel
Formula: C84H64O32Zr6
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: -5923.67855481 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0038 -0.0056 0.0119 0.0137

Quadrupole moment

XX YY ZZ XY XZ YZ
-708.3630 -708.6527 -708.7794 -0.0640 -0.0251 0.0781

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