GENERAL INFO

Title: 55
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200879
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
0.6855 1.2575 -0.7157 1.6011

Quadrupole moment

XX YY ZZ XY XZ YZ
-89.6892 -84.7372 -98.9007 0.0064 1.0153 6.2013

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.1266 -0.1403 -0.1742 0.2570

Quadrupole moment

XX YY ZZ XY XZ YZ
-90.3880 -86.5415 -98.2126 -4.9104 2.3942 5.7186

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