GENERAL INFO

Title: /noDisp/ligands sin-ph3b3lyp
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15777
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 3 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: -343.139558456 Eh

Energy Value Units
HF -343.1395585 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 0.8870 0.8870

Quadrupole moment

XX YY ZZ XY XZ YZ
-14.8728 -14.8728 -17.4632 0.0000 0.0000 0.0001

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