GENERAL INFO

Title: 60
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200874
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
-0.9089 -4.3882 4.1346 6.0973

Quadrupole moment

XX YY ZZ XY XZ YZ
-72.4260 -77.2546 -83.2973 1.9738 -4.7733 -5.0681

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.5727 -3.9750 4.3655 6.1099

Quadrupole moment

XX YY ZZ XY XZ YZ
-72.1370 -76.6118 -83.8344 3.2036 -6.1797 -4.6272

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.5724 -3.9758 4.3653 6.1103

Quadrupole moment

XX YY ZZ XY XZ YZ
-72.1363 -76.6116 -83.8354 3.2037 -6.1794 -4.6274

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