GENERAL INFO

Title: Anthracene5
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/114514
Program: Gaussian 16 AM64L-G16RevA.03
Author: Li, Yingzi
Formula: C14H10
Calculation type: Single point Structure
Method(s): RM06

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -539.300410787 Eh

Energy Value Units
HF -539.3004108 Eh

Mulliken charges

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
-68.2577 -69.4332 -88.2333 0.0000 -0.0000 0.0000

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