9a_CH2_gas

GENERAL INFO

Title:	9a_CH2_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199589
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
-5.1314	-2.5579	3.1570	6.5453

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-177.3416	-157.4068	-166.0811	10.5934	-11.3307	-4.1377

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.0142	1.3529	-0.3464	1.3967

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-188.6883	-165.1719	-168.5383	-14.5949	13.9555	1.9283

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