GENERAL INFO

Title: 15
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200915
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
-2.5041 -0.0930 0.0867 2.5074

Quadrupole moment

XX YY ZZ XY XZ YZ
-53.0096 -47.9473 -51.0133 -0.0570 -0.1339 -0.4344

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.3859 -0.1453 -0.0485 2.3908

Quadrupole moment

XX YY ZZ XY XZ YZ
-52.8654 -47.8050 -51.3715 -0.3102 -0.0114 -0.2185

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