6c_7c_TSS_ACN_ACN

GENERAL INFO

Title:	6c_7c_TSS_ACN_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199637
Program:	Gaussian 09 AM64L-G09RevD.01
Author:	Laconsay, Croix
Formula:
Calculation type:	Single point Structure
Method(s):	RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.6107	-1.1225	0.3121	1.3154

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-133.0331	-185.3402	-197.4654	-2.6313	0.4553	2.4704

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.6107	-1.1225	0.3121	1.3154

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-133.0331	-185.3402	-197.4654	-2.6313	0.4553	2.4704

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