GENERAL INFO

Title: 59
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200875
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
0.3382 -1.6549 4.1599 4.4898

Quadrupole moment

XX YY ZZ XY XZ YZ
-73.4015 -66.8238 -78.9660 5.0827 -3.7386 -6.3557

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0158 -1.2053 4.1839 4.3541

Quadrupole moment

XX YY ZZ XY XZ YZ
-76.5242 -64.7218 -78.0624 5.4140 -4.2304 -4.8019

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