GENERAL INFO

Title: /noDisp/complexes sin-cok
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15663
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 O 1 K 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -141.472727062 Eh

Energy Value Units
HF -141.4727271 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0795 -7.6804 0.0000 7.6808

Quadrupole moment

XX YY ZZ XY XZ YZ
-18.4301 -2.5232 -18.4293 0.1179 0.0000 0.0000

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