GENERAL INFO

Title: F
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200939
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
1.6557 -1.9410 -1.0997 2.7781

Quadrupole moment

XX YY ZZ XY XZ YZ
-91.5188 -85.4338 -86.2313 3.2565 0.1231 3.7186

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.5909 -1.8913 -1.0509 2.6856

Quadrupole moment

XX YY ZZ XY XZ YZ
-91.3899 -85.3643 -86.0743 3.2121 0.1346 3.6013

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