GENERAL INFO

Title: /noDisp/complexes sin-cnk
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15686
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 N 1 K 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -121.181272262 Eh

Energy Value Units
HF -121.1812723 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1512 -13.2991 0.0000 13.3000

Quadrupole moment

XX YY ZZ XY XZ YZ
-23.0720 -30.9450 -23.0650 -0.1857 0.0000 0.0000

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