GENERAL INFO

Title: /noDisp/complexes sin-hewco5
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15195
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 5 He 1 O 5 W 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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -636.785017217 Eh

Energy Value Units
HF -636.7850172 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0050 -0.0002 -2.8897 2.8897

Quadrupole moment

XX YY ZZ XY XZ YZ
-85.9300 -85.9294 -79.2819 0.0001 0.0039 0.0000

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