Cl_prot_ket

GENERAL INFO

Title:	Cl_prot_ket
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200928
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
-0.9749	2.9030	-0.7223	3.1464

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-74.0301	-65.9335	-87.2904	-2.0050	1.1497	4.4111

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-1.0103	2.9732	-0.7333	3.2247

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-74.0684	-66.1420	-87.2139	-2.1011	1.0289	4.3271

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