GENERAL INFO

Title: 41
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200892
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
0.0065 0.6818 -1.9131 2.0309

Quadrupole moment

XX YY ZZ XY XZ YZ
-89.3380 -88.6578 -96.5174 1.6672 3.5306 1.4437

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.3671 -2.2656 -2.1391 3.4026

Quadrupole moment

XX YY ZZ XY XZ YZ
-82.5181 -94.7689 -97.1165 -1.9961 0.7989 4.1434

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