GENERAL INFO

Title: /noDisp/complexes sin-h2niph3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15226
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 5 Ni 1 P 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: -515.256380463 Eh

Energy Value Units
HF -515.2563805 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0447 1.2544 0.0000 1.2552

Quadrupole moment

XX YY ZZ XY XZ YZ
-31.0476 -26.3141 -31.3947 0.0764 0.0000 0.0000

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