GENERAL INFO

Title: /noDisp/complexes sin-hticl3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15559
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 1 Cl 3 Ti 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C3V NOp 6

JOB |

Energies

Energy Value Units
SCF Done: -1439.70334452 Eh

Energy Value Units
HF -1439.7033445 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -0.2396 0.2396

Quadrupole moment

XX YY ZZ XY XZ YZ
-57.8861 -57.8861 -56.3834 0.0000 0.0000 0.0000

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