GENERAL INFO

Title: /noDisp/complexes sin-cnincl2
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15122
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 Cl 2 In 1 N 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: -1015.23102642 Eh

Energy Value Units
HF -1015.2310264 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0061 -1.5362 0.0000 1.5362

Quadrupole moment

XX YY ZZ XY XZ YZ
-45.2872 -66.4047 -56.3928 0.0025 0.0000 0.0000

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