GENERAL INFO

Title: /noDisp/complexes sin-brpdhph32
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15750
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 7 Br 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: -828.280584295 Eh

Energy Value Units
HF -828.2805843 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0001 4.8767 0.0000 4.8767

Quadrupole moment

XX YY ZZ XY XZ YZ
-66.3431 -75.5016 -46.3173 0.0005 0.0000 0.0000

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