ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -2 1
-1 1 ( 1 )
-1 1 ( 2 )

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii UFF
Solvent n-Octanol
Eps= 9.862900
Eps(inf)= 2.043470

JOB |

Energies

Energy Value Units
SCF Done: -2148.02656144
-2148.02675086
Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-134.7607 -55.6732 21.5238 147.3880

Quadrupole moment

XX YY ZZ XY XZ YZ
-4021.2125 -892.6897 -364.6731 -1575.4818 597.8556 222.4844

Final Excitation Energies

no. Type Energy (eV) Wavelength (nm) Osc. s^2 Orbitals

Final Excitation Energies

no. Type Energy (eV) Wavelength (nm) Osc. s^2 Orbitals

Electronic coupling for Excitation Energy Transfer

Fragment State w (eV) Fragment State w (eV) Total coupling (eV)

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