GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/KIE_110/II_D_Cpstar_110 II_D_Cpstar_110
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23691
Program: Gaussian 09 EM64L-G09RevD.01
Author: García, Cristina
Formula:
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.1335 -6.0788 5.4427 8.1605

Quadrupole moment

XX YY ZZ XY XZ YZ
-105.6549 -124.1223 -140.7606 2.0716 4.6164 3.6459

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.1348 -6.0792 5.4429 8.1609

Quadrupole moment

XX YY ZZ XY XZ YZ
-105.6636 -124.1241 -140.7596 2.0705 4.6166 3.6452

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