Rh_formate_gas

GENERAL INFO

Title:	Rh_formate_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199670
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
0.0001	-0.0001	0.0000	0.0001

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-96.3122	-96.3125	-113.4597	0.0000	0.0000	0.0000

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.0002	-0.0002	0.0000	0.0003

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-96.4690	-96.4691	-113.3654	0.0000	0.0001	0.0000

Report data

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