GENERAL INFO

Title: TS1-irc
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/216207
Program: Gaussian 16 ES64L-G16RevA.03
Author: Prasad, Supreeth
Formula: C28H31N2O5Rh
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: -1680.98153848 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.5374 0.1332 -3.9174 4.6693

Quadrupole moment

XX YY ZZ XY XZ YZ
-233.9845 -190.8333 -228.7560 -9.1866 10.3669 -5.7158

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