GENERAL INFO

Title: /noDisp/complexes sin-bpinauph3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15276
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 2 H 7 B 1 Au 1 O 2 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: -732.970220713 Eh

Energy Value Units
HF -732.9702207 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.9268 0.0003 0.0097 2.9269

Quadrupole moment

XX YY ZZ XY XZ YZ
-41.5309 -72.3746 -66.5652 0.0016 0.0031 0.4650

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