GENERAL INFO

Title: /noDisp/complexes sin-clznch3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15696
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 H 3 Cl 1 Zn 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: -727.314012311 Eh

Energy Value Units
HF -727.3140123 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0002 2.8502 0.0000 2.8502

Quadrupole moment

XX YY ZZ XY XZ YZ
-33.1040 -39.4279 -33.1038 0.0000 0.0000 0.0000

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