GENERAL INFO

Title: 38
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200895
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
1.5400 1.5730 -1.4140 2.6164

Quadrupole moment

XX YY ZZ XY XZ YZ
-86.8942 -90.8045 -100.0817 3.5758 5.6778 3.3679

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.2312 0.6991 -0.4211 2.3758

Quadrupole moment

XX YY ZZ XY XZ YZ
-86.7570 -87.9625 -101.9601 -1.5222 0.8820 7.5946

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