GENERAL INFO

Title: i95
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193010
Program: Gaussian 09 ES64L-G09RevD.01
Author: Galvao, Tiago
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
-0.1249 -0.4043 0.1112 0.4376

Quadrupole moment

XX YY ZZ XY XZ YZ
-259.2626 -242.6613 -270.1981 10.7641 -0.0237 3.9162

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