GENERAL INFO

Title: 16
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200914
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
0.9166 -0.4875 1.4764 1.8048

Quadrupole moment

XX YY ZZ XY XZ YZ
-48.6324 -48.7918 -51.8944 0.7135 -4.1383 0.8191

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.4803 -0.7071 1.3191 1.5719

Quadrupole moment

XX YY ZZ XY XZ YZ
-47.6778 -49.0459 -52.2336 1.3229 -3.2069 0.6751

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