GENERAL INFO

Title: /noDisp/ligands sin-sih3-b3lyp
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15765
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 3 Si 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -291.282294269 Eh

Energy Value Units
HF -291.2822943 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0042 -0.6039 0.0000 0.6039

Quadrupole moment

XX YY ZZ XY XZ YZ
-23.4980 -29.2010 -23.5011 0.0029 0.0000 0.0000

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