GENERAL INFO

Title: 20
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200907
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
2.4750 -0.0061 0.0788 2.4763

Quadrupole moment

XX YY ZZ XY XZ YZ
-33.3681 -35.2156 -39.6838 -0.0001 -0.3128 0.0008

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
3.0555 0.0000 -0.0350 3.0557

Quadrupole moment

XX YY ZZ XY XZ YZ
-31.7224 -35.5859 -40.5128 -0.0001 -0.3714 0.0000

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