ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent n,n-DiMethylFormamide
Eps= 37.219000
Eps(inf)= 2.046330

JOB |

Energies

Energy Value Units
SCF Done: -1100.18425588 Eh

Energy Value Units
HF -1100.1842559 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
9.8508 -12.4958 -1.1369 15.9523

Quadrupole moment

XX YY ZZ XY XZ YZ
-279.5721 -150.1944 -142.5161 138.7977 14.1400 -9.1416

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