GENERAL INFO

Title: /noDisp/complexes sin-coznch3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15650
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 2 H 3 O 1 Zn 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: -380.100904401 Eh

Energy Value Units
HF -380.1009044 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0023 -1.1046 0.0000 1.1046

Quadrupole moment

XX YY ZZ XY XZ YZ
-26.8842 -16.8731 -26.8845 0.0122 0.0000 0.0000

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