GENERAL INFO

Title: tBuPh_C5_OH_MeOH_C70
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4768
Program: Gaussian 16 ES64L-G16RevA.03
Author: Lledó, Agustí
Formula: C165H115N5O15
Calculation type: Geometry optimization Minimum
Method(s):

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0645 0.1130 -6.0935 6.0948

Quadrupole moment

XX YY ZZ XY XZ YZ

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