GENERAL INFO

Title: TS3
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/215829
Program: Gaussian 16 ES64L-G16RevA.03
Author: Prasad, Supreeth
Formula: C35H39N3O4RhZn
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies

Energy Value Units
SCF Done: -3711.01837866 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
20.5140 -1.9423 3.8774 20.9674

Quadrupole moment

XX YY ZZ XY XZ YZ
-227.5960 -227.6058 -244.5624 11.0796 -11.8369 9.3195

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