Rh_formate_ACN

GENERAL INFO

Title:	Rh_formate_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199667
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
9.0760	-0.0123	-1.2006	9.1551

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-76.5444	-115.3671	-115.3673	0.0305	2.3401	0.0058

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
7.5983	0.0001	-0.0073	7.5983

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-85.2853	-114.8769	-114.8776	-0.0006	-0.0486	0.0002

Report data

Creative Commons License

This HTML file

Creative Commons License