GENERAL INFO

Title: /ANIONIC 1epin
Browse item: https://iochem-bd.urv.es:443/browse/handle/100/891
Program: Gaussian 16 ES64L-G16RevA.03
Author: Maza Quiroga, Ricardo José
Formula: C8H14BO2
Calculation type: Single point Structure
Method(s): RwB97XD - Grimme-D2

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: -488.487850794 Eh

Energy Value Units
HF -488.4878508 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-9.3466 0.0007 0.0007 9.3466

Quadrupole moment

XX YY ZZ XY XZ YZ
-104.1592 -76.1624 -73.5885 0.0012 0.0005 1.8742

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