ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1 0 1 0 1

QM/MM section

JOB |

Energies

Energy Value Units
low model 0.505554986152 Eh
high model 0.041946623234 Eh
low real 29.078693763082 Eh
Oniom : Extrapolated energy 28.615085400164 Eh


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