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: C-PCM
Atomic radii UFF
Solvent HFIP
Eps= 16.700000
Eps(inf)= 1.625625

JOB |

Energies

Energy Value Units
SCF Done: -1169.53272915 Eh

Energy Value Units
HF -1169.5327292 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.1873 0.1884 -0.0005 0.2657

Quadrupole moment

XX YY ZZ XY XZ YZ
-109.3061 -111.4399 -142.9086 0.0011 0.0008 -0.0008

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