GENERAL INFO

Title: /Acridine/Acridine-H2/Charge_2 q2_p29_M1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322656
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: -553.403792565 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.4999 1.6756 0.0004 1.7486

Quadrupole moment

XX YY ZZ XY XZ YZ
32.1939 -43.9866 -78.0873 5.7523 -0.0104 -0.0218

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