GENERAL INFO

Title: /noDisp/complexes sin-nh3niph3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15183
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 6 N 1 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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -570.664674645 Eh

Energy Value Units
HF -570.6646746 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.8369 -0.0022 0.0056 2.8369

Quadrupole moment

XX YY ZZ XY XZ YZ
-23.1989 -37.0733 -37.0766 -0.0036 0.0064 0.0002

Report data Creative Commons License
This HTML file Creative Commons License