GENERAL INFO

Title: /template-3/int5 int5_FBONIA
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/236954
Program: Gaussian 16 ES64L-G16RevA.03
Author: Fernandez, Gilberto
Formula: C53H41F2N7O7Pd2
Calculation type: Geometry optimization Minimum
Method(s): RMN15

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies

Energy Value Units
SCF Done: -3403.10665217 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.0129 -6.2608 3.0098 7.0202

Quadrupole moment

XX YY ZZ XY XZ YZ
-478.7904 -438.6827 -404.7893 30.5974 10.0985 -15.0182

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