ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group C2 NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -415.960285371 Eh

Energy Value Units
HF -415.9602854 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 -0.0000 2.4070 2.4070

Quadrupole moment

XX YY ZZ XY XZ YZ
-43.0026 -63.6900 -45.9338 -11.1000 -0.0000 0.0000

Final Excitation Energies

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

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