GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/2b 2b_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23469
Program: Gaussian 09
Author: García, Cristina
Formula: C 11.0 H 21.0 Cl 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 -1181.4860893 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.5729 0.0701 -0.1480 1.5814

Quadrupole moment

XX YY ZZ XY XZ YZ
-95.9168 -98.3620 -96.7701 0.1389 0.3982 -0.0483

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