GENERAL INFO

Title: 58
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200876
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
0.2962 -2.2252 -1.2480 2.5684

Quadrupole moment

XX YY ZZ XY XZ YZ
-106.1533 -96.9018 -111.5994 7.3391 4.6632 -9.3995

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.4749 -0.0198 -0.6677 1.6191

Quadrupole moment

XX YY ZZ XY XZ YZ
-111.4590 -95.3288 -109.0373 4.6243 6.5076 -8.1051

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