GENERAL INFO

Title: A
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195347
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
4.0555 2.3471 -0.6977 4.7373

Quadrupole moment

XX YY ZZ XY XZ YZ
-92.1078 -108.9457 -117.4329 3.5188 -1.1828 -0.8273

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.0555 2.3471 -0.6977 4.7373

Quadrupole moment

XX YY ZZ XY XZ YZ
-92.1078 -108.9457 -117.4329 3.5188 -1.1828 -0.8273

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