GENERAL INFO

Title: 4_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23019
Program: Gaussian 09
Author: García, Cristina
Formula: C 16.0 H 18.0
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -620.7222223 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.1888 0.0895 0.0358 1.1927

Quadrupole moment

XX YY ZZ XY XZ YZ
-84.3080 -87.5185 -104.4672 0.2351 -0.1972 -1.5413

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