GENERAL INFO

Title: 43
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200891
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
-0.1199 0.7063 2.0704 2.1908

Quadrupole moment

XX YY ZZ XY XZ YZ
-103.8412 -106.6620 -113.7590 -1.1239 3.0410 -0.1185

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.2758 2.1745 1.1158 2.7571

Quadrupole moment

XX YY ZZ XY XZ YZ
-114.0433 -98.5288 -113.3748 -2.6554 0.1674 -1.3977

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