GENERAL INFO

Title: NaOtBu
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/248868
Program: Gaussian 16 ES64L-G16RevA.03
Author: Liu, Lin
Formula: C4H9ONa
Calculation type: Single point Structure
Method(s):

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: -395.408010139 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-4.3664 -4.4954 0.0000 6.2669

Quadrupole moment

XX YY ZZ XY XZ YZ
-40.6600 -23.7774 -40.1030 8.2083 0.0000 -0.0000

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