GENERAL INFO

Title: propane_gas
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/199674
Program: Gaussian 09 AM64L-G09RevD.01
Author: Laconsay, Croix
Formula:
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0623 0.0000 0.0623

Quadrupole moment

XX YY ZZ XY XZ YZ
-22.2718 -21.7666 -21.2570 0.0000 0.0001 0.0001

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0556 0.0000 0.0556

Quadrupole moment

XX YY ZZ XY XZ YZ
-21.8860 -21.5791 -21.2366 0.0000 0.0000 0.0000

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