GENERAL INFO

Title: 6
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200866
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
29.2357 -10.0941 -9.8914 32.4725

Quadrupole moment

XX YY ZZ XY XZ YZ
-183.1923 -104.1327 -99.3183 4.2812 -2.6326 9.3829

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
27.7904 -6.4545 -5.7205 29.0979

Quadrupole moment

XX YY ZZ XY XZ YZ
-142.1138 -107.0597 -101.8715 -1.9539 -0.5620 6.8603

Report data Creative Commons License
This HTML file Creative Commons License