GENERAL INFO

Title: SC5OMeB_ScPr
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4075
Program: Gaussian 16 ES64L-G16RevA.03
Author: Lledó, Agustí
Formula: C138H123IN6O15
Calculation type: Geometry optimization Minimum
Method(s):

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies

Energy Value Units
SCF Done: -0.623107508040 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.7997 18.7869 -7.2504 20.9560

Quadrupole moment

XX YY ZZ XY XZ YZ

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