GENERAL INFO

Title: CF3
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200937
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
-0.7002 -1.7239 -1.2159 2.2227

Quadrupole moment

XX YY ZZ XY XZ YZ
-108.6532 -103.1466 -103.1576 5.5275 2.2926 3.2930

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.6731 -1.6611 -1.3202 2.2260

Quadrupole moment

XX YY ZZ XY XZ YZ
-108.3096 -103.0060 -102.9216 5.3491 2.4327 2.8278

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