GENERAL INFO

Title: propane_DCM
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/199673
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 0.0672 0.0000 0.0672

Quadrupole moment

XX YY ZZ XY XZ YZ
-22.3055 -21.7511 -21.2264 0.0000 0.0001 0.0001

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0622 0.0000 0.0622

Quadrupole moment

XX YY ZZ XY XZ YZ
-21.9023 -21.5680 -21.2102 0.0000 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License