GENERAL INFO

Title: 56
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200878
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
0.7723 1.0307 -0.4475 1.3635

Quadrupole moment

XX YY ZZ XY XZ YZ
-99.4721 -93.9865 -104.4467 -0.4500 3.8240 6.8348

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.3999 -0.3499 0.1899 0.5643

Quadrupole moment

XX YY ZZ XY XZ YZ
-102.7464 -93.0529 -104.3016 -5.2459 5.1522 5.6336

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