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

ni0-lig_sp

-1 1
 Ni	-0.834246000	 0.146312000	-0.315294000
 C	-2.273505000	 2.431725000	-0.867193000
 C	-1.035527000	 2.660446000	 1.152432000
 C	-2.802974000	 3.693527000	-0.784330000
 H	-2.525592000	 1.774602000	-1.698792000
 C	-1.539365000	 4.008681000	 1.233350000
 C	-2.397579000	 4.533372000	 0.301285000
 H	-3.488543000	 4.051629000	-1.545784000
 H	-1.228199000	 4.591933000	 2.095936000
 C	 0.188792000	-2.581568000	-0.216557000
 C	-0.709339000	-1.782998000	-2.271727000
 C	 0.396725000	-3.847804000	-0.872979000
 C	-0.474599000	-2.963004000	-2.929058000
 H	-1.165234000	-0.937810000	-2.786246000
 C	 0.079234000	-4.057031000	-2.190548000
 H	 0.852380000	-4.634207000	-0.277144000
 H	-0.734824000	-3.068022000	-3.977534000
 N	-0.450933000	-1.580860000	-0.946693000
 N	-1.374133000	 1.917901000	 0.022066000
 N	-0.306428000	 2.198748000	 2.161860000
 C	 0.120926000	 0.911972000	 2.247118000
 C	 0.603740000	-1.251899000	 1.694398000
 N	 0.003933000	-0.074979000	 1.285916000
 N	 0.637860000	-2.433185000	 1.024433000
 C	-2.925591000	 5.940566000	 0.396566000
 H	-2.539765000	 6.460588000	 1.279418000
 H	-2.649243000	 6.522613000	-0.492976000
 H	-4.022725000	 5.945011000	 0.447242000
 C	 0.307919000	-5.380841000	-2.871281000
 H	 0.740998000	-6.119247000	-2.188681000
 H	-0.634372000	-5.786835000	-3.263237000
 H	 0.983851000	-5.268817000	-3.729667000
 C	 1.833691000	-1.843017000	 3.907485000
 C	 1.148844000	-1.016279000	 2.990046000
 C	 0.828755000	 0.343857000	 3.346112000
 C	 1.269699000	 0.872807000	 4.578980000
 C	 1.961119000	 0.050494000	 5.453653000
 C	 2.235298000	-1.309976000	 5.121564000
 H	 2.052353000	-2.878106000	 3.652815000
 H	 1.053443000	 1.907304000	 4.838271000
 H	 2.294282000	 0.439189000	 6.413472000
 H	 2.776751000	-1.930052000	 5.832676000

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

