GENERAL INFO

Title: /reac_prod_actspec_cyc/sp sf
Browse item: https://iochem-bd.urv.es:443/browse/handle/100/3457
Program: Gaussian 16 ES64L-G16RevA.03
Author: Villares, Mario
Formula: FS
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C*V NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -498.168690400 Eh

Energy Value Units
HF -498.1686904 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -0.7714 0.7714

Quadrupole moment

XX YY ZZ XY XZ YZ
-23.7087 -23.7087 -23.9982 0.0000 0.0000 0.0000

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