GENERAL INFO

Title: /noDisp/complexes sin-cnznch3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15673
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 2 H 3 N 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: -359.910808332 Eh

Energy Value Units
HF -359.9108083 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0001 4.4954 0.0000 4.4954

Quadrupole moment

XX YY ZZ XY XZ YZ
-30.8762 -47.4054 -30.8762 0.0009 0.0000 0.0000

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