%nprocshared=12
%mem=20GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=n,n-dimethylacetamide) scf=xqc nosymm integral(ultrafine)

ni1-lig_sp

0 2
 Ni	-0.908706000	 0.171971000	-0.466973000
 C	-2.192057000	 2.653372000	-0.993668000
 C	-1.195493000	 2.623120000	 1.125651000
 C	-2.657261000	 3.942009000	-0.833669000
 H	-2.386527000	 2.102184000	-1.908901000
 C	-1.655282000	 3.947138000	 1.329945000
 C	-2.386046000	 4.627103000	 0.368779000
 H	-3.224311000	 4.413383000	-1.630570000
 H	-1.411558000	 4.415950000	 2.277938000
 C	 0.265798000	-2.518567000	-0.354361000
 C	-0.874472000	-1.978176000	-2.327297000
 C	 0.542563000	-3.797029000	-0.897735000
 C	-0.625981000	-3.211781000	-2.891996000
 H	-1.437648000	-1.222810000	-2.867287000
 C	 0.108599000	-4.167790000	-2.160435000
 H	 1.113643000	-4.484307000	-0.281829000
 H	-0.996536000	-3.433363000	-3.888198000
 N	-0.453328000	-1.607618000	-1.088687000
 N	-1.474667000	 1.979923000	-0.055299000
 N	-0.481287000	 2.085239000	 2.176509000
 C	 0.030035000	 0.882857000	 2.193804000
 C	 0.621741000	-1.197332000	 1.594631000
 N	-0.032280000	-0.062630000	 1.212007000
 N	 0.766333000	-2.302866000	 0.913165000
 C	-2.874551000	 6.033988000	 0.582413000
 H	-2.592816000	 6.413805000	 1.569075000
 H	-2.459876000	 6.707194000	-0.178541000
 H	-3.966893000	 6.082880000	 0.491178000
 C	 0.398953000	-5.525573000	-2.739655000
 H	 0.982926000	-6.142582000	-2.050128000
 H	-0.533946000	-6.054693000	-2.971841000
 H	 0.956899000	-5.434165000	-3.680047000
 C	 1.905743000	-1.795302000	 3.808880000
 C	 1.167750000	-0.982550000	 2.957222000
 C	 0.796764000	 0.320942000	 3.332829000
 C	 1.154669000	 0.843780000	 4.569375000
 C	 1.899383000	 0.027509000	 5.432578000
 C	 2.269355000	-1.272323000	 5.057977000
 H	 2.190238000	-2.801532000	 3.514887000
 H	 0.866164000	 1.851126000	 4.855512000
 H	 2.195159000	 0.406814000	 6.406929000
 H	 2.846684000	-1.882554000	 5.747203000

-Br -Ni -N -C -H -O 0
cc-pVTZ
****

