ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group C1 NOp 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent Generic
Eps= 7.790000
Eps(inf)= 1.408500

JOB |

Energies

Energy Value Units
SCF Done: -1769.81590232 Eh

Energy Value Units
HF -1769.8159023 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.1659 -4.1947 -1.8800 5.5815

Quadrupole moment

XX YY ZZ XY XZ YZ
-240.1662 -199.3251 -236.2278 -4.1367 -7.7343 7.3822

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