GENERAL INFO

Title: i48
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/192985
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
0.0002 -0.0002 1.0104 1.0104

Quadrupole moment

XX YY ZZ XY XZ YZ
-94.8059 -159.2663 -167.1710 22.0056 -0.0033 -0.0004

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0002 -0.0002 1.0104 1.0104

Quadrupole moment

XX YY ZZ XY XZ YZ
-94.8058 -159.2663 -167.1710 22.0056 -0.0033 -0.0004

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