8a_9a_TSS_CH2_gas

GENERAL INFO

Title:	8a_9a_TSS_CH2_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199603
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
-5.8161	-2.6748	3.0493	7.0908

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-176.9599	-156.5692	-165.9897	11.1668	-10.6566	-3.7391

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-5.8160	-2.6748	3.0493	7.0908

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-176.9598	-156.5692	-165.9897	11.1667	-10.6566	-3.7391

Report data

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