GENERAL INFO

Title: 12S_6
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195372
Program: Gaussian 09 ES64L-G09RevD.01
Author: Laconsay, Croix
Formula:
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1650 -0.3336 0.0468 0.3751

Quadrupole moment

XX YY ZZ XY XZ YZ
-127.6713 -127.4897 -130.7790 0.4504 0.1998 -0.0110

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1646 -0.3449 0.0549 0.3861

Quadrupole moment

XX YY ZZ XY XZ YZ
-127.3241 -127.2873 -130.7918 0.4780 0.0800 0.0362

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