GENERAL INFO

Title: TS4-irc
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/216192
Program: Gaussian 16 ES64L-G16RevA.03
Author: Prasad, Supreeth
Formula: C33H33N2O2Rh
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies

Energy Value Units
SCF Done: -1647.04461069 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.4997 1.1553 -3.9920 4.8497

Quadrupole moment

XX YY ZZ XY XZ YZ
-228.0065 -219.5830 -237.5767 -23.1425 3.4263 6.7141

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