GENERAL INFO

Title: TS4-IRC
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/215826
Program: Gaussian 16 ES64L-G16RevA.03
Author: Prasad, Supreeth
Formula: C24H29NRh
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: -1096.47511848 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.2622 1.3602 -0.1438 1.3927

Quadrupole moment

XX YY ZZ XY XZ YZ
-132.1122 -131.7002 -148.9902 7.8720 -7.2115 3.5524

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