anti_C1_14_ap_30_-54

GENERAL INFO

Title:	anti_C1_14_ap_30_-54
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200016
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
-1.8890	1.9627	0.4374	2.7590

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-345.6356	-334.7376	-347.2695	-24.3877	-7.0317	11.6829

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-1.8994	1.9743	0.4294	2.7731

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-345.7306	-334.6767	-347.2383	-24.2884	-7.0741	11.6327

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