GENERAL INFO

Title: TS1-IRC
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/215832
Program: Gaussian 16 ES64L-G16RevA.03
Author: Prasad, Supreeth
Formula: C23H27NO2Rh
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: -1207.73765634 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0373 -2.3234 -0.7542 2.4430

Quadrupole moment

XX YY ZZ XY XZ YZ
-131.9583 -136.7788 -145.6398 4.5826 4.3255 1.7347

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