GENERAL INFO

Title: 52
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200882
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
2.1654 2.0731 -1.1497 3.2107

Quadrupole moment

XX YY ZZ XY XZ YZ
-87.5832 -85.6529 -102.5289 2.3905 -1.5806 5.2825

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.1773 3.1254 -0.8718 3.4516

Quadrupole moment

XX YY ZZ XY XZ YZ
-92.4470 -82.6960 -101.4697 3.4842 -1.3823 5.5530

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