Cl_prot_amine

GENERAL INFO

Title:	Cl_prot_amine
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200935
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
-1.6543	-6.1980	4.3315	7.7404

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-80.1399	-78.2586	-71.1623	7.5402	-3.1455	-6.1871

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-1.6080	-6.0366	4.3152	7.5926

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-80.2582	-78.4814	-71.2399	7.3653	-2.9532	-6.1026

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