ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group

Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -2161.00705985 Eh

Energy Value Units
HF -2161.0070599 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.9598 -0.0013 -0.6789 5.9983

Quadrupole moment

XX YY ZZ XY XZ YZ
-108.0566 -107.1095 -109.8110 -0.0151 -0.7535 0.0075

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