GENERAL INFO

Title: TS2-IRC
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/215830
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: -3710.82558269 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
10.8407 3.3504 -0.3247 11.3513

Quadrupole moment

XX YY ZZ XY XZ YZ
-219.2203 -229.3139 -250.8581 -15.2799 2.5295 5.0922

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