GENERAL INFO

Title: styrene_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23090
Program: Gaussian 09
Author: García, Cristina
Formula: C 8.0 H 8.0
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 -309.7505279 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.2274 0.0035 0.0000 0.2274

Quadrupole moment

XX YY ZZ XY XZ YZ
-42.2108 -41.2953 -54.1513 -0.0429 0.0000 0.0000

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