ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 2 1

Full point group

Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -503.582147179 Eh

Energy Value Units
HF -503.5821472 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-9.4830 0.2701 0.2109 9.4892

Quadrupole moment

XX YY ZZ XY XZ YZ
-30.5542 -38.0942 -37.5577 -0.4013 -0.4935 1.3701

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