F_prot_ket

GENERAL INFO

Title:	F_prot_ket
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200927
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
-1.5674	2.4889	-0.7009	3.0236

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-67.9393	-60.8950	-78.8980	-6.1684	-0.7928	4.4485

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-1.6084	2.5334	-0.6732	3.0755

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-67.9331	-61.0928	-78.8217	-6.1537	-0.8083	4.3437

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