1c_iPrOH_none

GENERAL INFO

Title:	1c_iPrOH_none
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199678
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
-0.0005	-1.9133	0.0004	1.9133

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-72.5627	-86.3380	-87.6796	0.0037	-2.4348	0.0018

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.0003	-1.9323	0.0004	1.9323

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-72.5235	-86.3588	-87.6768	0.0011	-2.4470	0.0035

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