TS(I-K)

GENERAL INFO

Title:	TS(I-K)
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/195351
Program:	Gaussian 09 ES64L-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
6.7938	5.8515	3.4880	9.6209

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-99.5382	-105.5745	-115.2825	13.0290	5.8920	10.8469

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
6.7938	5.8515	3.4880	9.6209

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-99.5382	-105.5745	-115.2825	13.0290	5.8920	10.8469

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