GENERAL INFO

Title: /noDisp/complexes sin-shk
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15310
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: H 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: -427.146699058 Eh

Energy Value Units
HF -427.1466991 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.6159 -11.4348 0.0000 11.4514

Quadrupole moment

XX YY ZZ XY XZ YZ
-25.4068 -26.8930 -29.7899 -2.9255 0.0000 0.0000

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