GENERAL INFO

Title: /noDisp/complexes sin-ncsk
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15501
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 N 1 K 1 S 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: -519.421313525 Eh

Energy Value Units
HF -519.4213135 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.7339 14.3337 0.0000 15.4381

Quadrupole moment

XX YY ZZ XY XZ YZ
-33.9393 -20.4581 -36.5577 6.5021 0.0000 0.0000

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