CF3_prot_amine

GENERAL INFO

Title:	CF3_prot_amine
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200936
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
-5.4027	-5.7451	3.8291	8.7668

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-89.0208	-85.4261	-80.1342	9.9770	-5.2870	-6.7734

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-5.3587	-5.6321	3.7373	8.6258

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-88.8877	-85.4843	-80.2484	9.7744	-5.1141	-6.9217

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