6a_7a_TSS_ACN_ACN

GENERAL INFO

Title:	6a_7a_TSS_ACN_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199641
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
-2.9822	1.5990	-0.4581	3.4147

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-114.8268	-156.5748	-182.2555	6.7801	-1.6989	3.6834

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-2.9822	1.5990	-0.4581	3.4147

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-114.8269	-156.5748	-182.2555	6.7801	-1.6989	3.6834

Report data

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