GENERAL INFO

Title: /noDisp/complexes sin-nh3pdhph32
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15473
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 10 N 1 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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -871.219245170 Eh

Energy Value Units
HF -871.2192452 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0936 2.9630 0.0000 2.9644

Quadrupole moment

XX YY ZZ XY XZ YZ
-27.4097 -39.4009 -52.5047 0.1282 0.0000 0.0000

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