GENERAL INFO

Title: 34
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200899
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
1.1622 -3.9307 3.8356 5.6136

Quadrupole moment

XX YY ZZ XY XZ YZ
-78.1127 -71.0523 -72.3129 -7.8201 2.8685 -8.5861

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.3227 -4.2165 4.0148 5.8310

Quadrupole moment

XX YY ZZ XY XZ YZ
-74.3277 -70.6689 -74.6530 -6.9029 1.7062 -8.2039

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