GENERAL INFO

Title: i87
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193018
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
0.1194 0.0400 0.2801 0.3071

Quadrupole moment

XX YY ZZ XY XZ YZ
-262.2614 -269.3230 -247.4691 74.2612 -6.1222 1.7793

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