GENERAL INFO

Title: 11
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200919
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
-1.5905 1.0013 -0.9320 2.0978

Quadrupole moment

XX YY ZZ XY XZ YZ
-92.1326 -85.0541 -92.6697 -1.4347 2.5029 3.0065

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.6357 1.0188 -1.0802 2.2091

Quadrupole moment

XX YY ZZ XY XZ YZ
-92.1655 -84.8579 -92.9050 -0.9304 2.1214 3.1509

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