GENERAL INFO

Title: 5_prime
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200942
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
0.9799 -3.2889 -1.6737 3.8182

Quadrupole moment

XX YY ZZ XY XZ YZ
-89.0298 -95.0575 -91.8437 8.9868 -5.0374 -2.3713

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.7224 -2.9781 -0.5984 3.4920

Quadrupole moment

XX YY ZZ XY XZ YZ
-86.8348 -97.7658 -89.7003 9.1815 -3.7848 -2.0787

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