GENERAL INFO

Title: TS4-dash-irc
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/216195
Program: Gaussian 16 ES64L-G16RevA.03
Author: Prasad, Supreeth
Formula: C33H32N2O2Ru
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: -1630.77634583 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.3383 -2.7634 -1.3837 6.1683

Quadrupole moment

XX YY ZZ XY XZ YZ
-211.5485 -234.2824 -230.0462 -20.0883 -6.5331 -4.7416

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