GENERAL INFO

Title: /Anthracen/Anthracen-H2/Charge_2 q2_p41_M1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/323141
Program: Gaussian 16 EM64L-G16RevB.01
Author: Lamsabhi, Al Mokhtar
Formula: C14H8
Calculation type: Single point Structure
Method(s):

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: -537.424427918 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0548 1.6877 0.0100 1.6886

Quadrupole moment

XX YY ZZ XY XZ YZ
18.5427 -42.4901 -76.5442 1.7874 -0.0294 -0.0274

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