GENERAL INFO

Title: 10
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195349
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
-12.1022 0.0824 0.2106 12.1043

Quadrupole moment

XX YY ZZ XY XZ YZ
-58.1957 -110.1032 -116.2261 0.0255 2.1908 0.4793

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-11.7936 -0.3334 -0.1041 11.7988

Quadrupole moment

XX YY ZZ XY XZ YZ
-60.8082 -110.0048 -115.4339 1.6133 3.4518 0.4387

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