GENERAL INFO

Title: /Acridine/Acridine-H2/Charge_2 q2_p914_M1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322892
Program: Gaussian 16 EM64L-G16RevB.01
Author: Lamsabhi, Al Mokhtar
Formula: C13H7N
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: -553.497084079 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.8306 2.8266 0.0105 3.3677

Quadrupole moment

XX YY ZZ XY XZ YZ
33.9901 -43.7361 -77.5089 -1.9952 0.0578 -0.2971

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