GENERAL INFO

Title: H
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200940
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
2.8782 0.8554 -0.9934 3.1626

Quadrupole moment

XX YY ZZ XY XZ YZ
-88.0401 -76.5071 -83.4682 1.2165 -1.9796 3.1323

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.7867 0.8301 -0.9633 3.0631

Quadrupole moment

XX YY ZZ XY XZ YZ
-87.8287 -76.6105 -83.3366 1.1306 -1.8259 3.0639

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