GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/3a 3a_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23564
Program: Gaussian 09
Author: García, Cristina
Formula: C 18.0 H 27.0 N 1.0 O 2.0 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 -1196.7414513 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.3787 3.7903 0.8557 4.5560

Quadrupole moment

XX YY ZZ XY XZ YZ
-105.7776 -141.9584 -146.8426 -9.4006 0.2581 3.0278

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