8b_9b_TSS_CH3_ACN

GENERAL INFO

Title:	8b_9b_TSS_CH3_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199547
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
-7.8789	-1.9265	0.9906	8.1712

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-181.7258	-164.7287	-179.9688	6.3238	2.3831	-4.3654

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-7.8789	-1.9265	0.9906	8.1713

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-181.7258	-164.7287	-179.9688	6.3238	2.3831	-4.3654

Report data

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