GENERAL INFO

Title: cyclohexene
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200911
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
-0.0860 -0.0048 -0.0022 0.0861

Quadrupole moment

XX YY ZZ XY XZ YZ
-40.7621 -41.1225 -38.9199 0.0203 0.1365 -0.1235

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0002 0.0002 -0.0001 0.0003

Quadrupole moment

XX YY ZZ XY XZ YZ
-40.6186 -40.6231 -40.1472 -0.0017 0.0007 -0.0021

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