GENERAL INFO

Title: mesitylene_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23073
Program: Gaussian 09
Author: García, Cristina
Formula: C 9.0 H 12.0
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 -350.3175755 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0234 0.0103 0.0330 0.0418

Quadrupole moment

XX YY ZZ XY XZ YZ
-50.3438 -50.4561 -59.3661 -0.0028 0.0744 -0.1329

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