anti_C1_14_ap_48_-54

GENERAL INFO

Title:	anti_C1_14_ap_48_-54
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200018
Program:	Gaussian 16 ES64L-G16RevA.03
Author:	Merrill, Amy
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
-1.5808	1.9599	0.6822	2.6087

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-348.2576	-332.7413	-347.5014	-22.9704	-6.9277	11.6284

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-1.5938	1.9755	0.6690	2.6250

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-348.3340	-332.7017	-347.4536	-22.8131	-7.0141	11.5721

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