GENERAL INFO

Title: /noDisp/metal_frag sin-alcl3b3lyp
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/14968
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: Al 1 Cl 3
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group D3H NOp 12

JOB |

Energies

Energy Value Units
SCF Done: -1623.22669970 Eh

Energy Value Units
HF -1623.2266997 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
-54.5383 -54.5383 -47.0712 0.0000 0.0000 0.0000

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