GENERAL INFO

Title: 33
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200900
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
3.7466 -0.7612 3.8721 5.4415

Quadrupole moment

XX YY ZZ XY XZ YZ
-66.7095 -70.3492 -69.3254 -4.4715 6.7342 -5.8879

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.9544 -1.5889 4.1924 5.3693

Quadrupole moment

XX YY ZZ XY XZ YZ
-64.3540 -69.0891 -72.0566 -2.7817 5.5758 -5.6066

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