OCH3_prot_amine

GENERAL INFO

Title:	OCH3_prot_amine
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200930
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
-0.0990	-5.0883	4.2807	6.6502

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-66.3429	-83.0133	-71.6848	12.1117	-5.8989	-5.2442

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.6147	-5.0547	3.9212	6.4268

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-67.4904	-82.8629	-71.7939	11.7772	-7.3976	-5.0726

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