GENERAL INFO

Title: 61
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200873
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
1.6850 -2.1668 3.5844 4.5146

Quadrupole moment

XX YY ZZ XY XZ YZ
-73.1627 -63.8496 -68.3402 -0.2335 -2.7856 -7.6248

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.0570 -0.9836 3.5964 3.8754

Quadrupole moment

XX YY ZZ XY XZ YZ
-75.3633 -61.5641 -69.4714 -1.5591 -0.9288 -5.3367

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