GENERAL INFO

Title: /noDisp/complexes sin-clpdhph32
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15704
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 7 Cl 1 P 2 Pd 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 CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -1275.08914500 Eh

Energy Value Units
HF -1275.089145 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0001 4.4830 0.0000 4.4830

Quadrupole moment

XX YY ZZ XY XZ YZ
-63.4888 -75.3150 -43.6836 -0.0003 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License