GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/2c 2c_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23515
Program: Gaussian 09
Author: García, Cristina
Formula: C 11.0 H 21.0 I 1.0 Si 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -732.6759666 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.3186 0.0837 -0.0786 0.3387

Quadrupole moment

XX YY ZZ XY XZ YZ
-91.9847 -106.6841 -105.0293 -0.0710 0.8226 -0.0683

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