GENERAL INFO

Title: SC5OMeB_RNaphth
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4076
Program: Gaussian 16 ES64L-G16RevA.03
Author: Lledó, Agustí
Formula: C145H125IN6O15
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: -0.585157536596 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.5457 -17.8447 10.6276 21.7767

Quadrupole moment

XX YY ZZ XY XZ YZ

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