GENERAL INFO

Title: 46
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200888
Program: Gaussian 09 AM64L-G09RevD.01
Author: Laconsay, Croix
Formula:
Calculation type: Single point Structure
Method(s): RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.2689 -1.5810 4.3732 4.8203

Quadrupole moment

XX YY ZZ XY XZ YZ
-80.5571 -73.4028 -81.7000 5.0564 -2.9969 -7.2722

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.8010 -2.0994 4.3777 4.9207

Quadrupole moment

XX YY ZZ XY XZ YZ
-81.1626 -72.7692 -82.3584 3.0343 -1.5772 -7.5162

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