GENERAL INFO

Title: 32
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200901
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
-1.0645 -2.4708 2.7704 3.8617

Quadrupole moment

XX YY ZZ XY XZ YZ
-78.1796 -72.9823 -81.0654 7.4279 -6.4246 -9.4218

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.1157 -3.3440 3.0237 4.6443

Quadrupole moment

XX YY ZZ XY XZ YZ
-76.2458 -73.4819 -84.2173 3.8425 -6.6946 -8.8644

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