GENERAL INFO

Title: /noDisp/complexes sin-heincl2
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15073
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: Cl 2 He 1 In 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: -924.964714436 Eh

Energy Value Units
HF -924.9647144 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0381 -0.1715 0.0000 0.1757

Quadrupole moment

XX YY ZZ XY XZ YZ
-32.5009 -32.0865 -33.0365 0.0708 0.0000 0.0000

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