GENERAL INFO

Title: /noDisp/complexes sin-h2pdhph32
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15259
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 9 P 2 Pd 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: -815.796464085 Eh

Energy Value Units
HF -815.7964641 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0006 0.5609 0.0000 0.5609

Quadrupole moment

XX YY ZZ XY XZ YZ
-47.6219 -43.2033 -18.8058 0.0015 0.0000 0.0000

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