GENERAL INFO

Title: 13
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200917
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
-0.8788 3.4913 0.1851 3.6050

Quadrupole moment

XX YY ZZ XY XZ YZ
-62.5867 -55.2209 -53.8933 7.1665 0.2699 0.5864

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.0222 3.4561 0.3555 3.6215

Quadrupole moment

XX YY ZZ XY XZ YZ
-62.5273 -55.0780 -54.0781 6.8377 0.7620 -0.0650

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