piperidine

GENERAL INFO

Title:	piperidine
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200910
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
-0.0098	1.3811	-0.4931	1.4666

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-38.1063	-45.0222	-37.7813	0.0500	-0.0113	1.4771

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.0006	1.1755	-0.5738	1.3081

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-38.1609	-43.9973	-37.8693	0.0031	-0.0010	1.6320

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