GENERAL INFO

Title: 12
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200918
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
0.8992 1.4877 -1.5642 2.3385

Quadrupole moment

XX YY ZZ XY XZ YZ
-85.4444 -87.4582 -92.5572 1.0299 0.7112 2.9566

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.4551 1.0438 -2.0222 2.3208

Quadrupole moment

XX YY ZZ XY XZ YZ
-86.1962 -86.7399 -93.3418 -0.5553 -0.5282 2.9789

Report data Creative Commons License
This HTML file Creative Commons License