H_prot_amine

GENERAL INFO

Title:	H_prot_amine
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200933
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
5.4220	-2.1992	4.4400	7.3449

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-72.6826	-62.1332	-60.3175	-1.0151	4.4136	-4.3361

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
5.2499	-2.1775	4.4081	7.1927

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-72.7234	-62.3785	-60.3930	-1.0091	4.4247	-4.2730

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