F_prot_amine

GENERAL INFO

Title:	F_prot_amine
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200934
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
0.7725	-6.2132	4.2886	7.5890

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-78.4823	-68.4430	-63.0434	3.0307	-0.5585	-6.3417

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.8477	-6.1585	4.3255	7.5733

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-78.3633	-68.2186	-63.1052	3.2180	-0.5007	-6.4807

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