%nprocshared=24
%mem=90GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=n,n-dimethylacetamide) scf=xqc nosymm integral(ultrafine)

ni0-br-t_sp

-2 3
 Ni	 0.069637000	-0.139395000	 0.573109000
 C	-0.260597000	 2.311057000	-0.840356000
 C	-0.436565000	 2.607484000	 1.500255000
 C	-0.467362000	 3.646349000	-1.105136000
 H	-0.099748000	 1.604251000	-1.653068000
 C	-0.654161000	 4.002771000	 1.251152000
 C	-0.674005000	 4.536813000	-0.017947000
 H	-0.471233000	 4.003106000	-2.131107000
 H	-0.806519000	 4.634886000	 2.121632000
 C	 0.466538000	-2.883906000	 1.559793000
 C	 0.550020000	-2.596066000	-0.786888000
 C	 0.704740000	-4.280856000	 1.341172000
 C	 0.779764000	-3.933032000	-1.022602000
 H	 0.481624000	-1.892092000	-1.614950000
 C	 0.861818000	-4.820001000	 0.083833000
 H	 0.757081000	-4.909841000	 2.225604000
 H	 0.894769000	-4.293824000	-2.040705000
 N	 0.392204000	-2.047691000	 0.451193000
 N	-0.238430000	 1.767666000	 0.409808000
 N	-0.445810000	 2.231040000	 2.797101000
 C	-0.262917000	 0.977399000	 3.239381000
 C	 0.103768000	-1.248045000	 3.263865000
 N	-0.033982000	-0.136432000	 2.477303000
 N	 0.332989000	-2.503256000	 2.848604000
 C	-0.904751000	 6.004469000	-0.266980000
 H	-1.050324000	 6.556875000	 0.667100000
 H	-0.054063000	 6.449648000	-0.799716000
 H	-1.789409000	 6.159705000	-0.898694000
 C	 1.111344000	-6.289630000	-0.133276000
 H	 1.145097000	-6.840033000	 0.812650000
 H	 0.325056000	-6.731660000	-0.759486000
 H	 2.061930000	-6.451796000	-0.658457000
 C	-0.002942000	-1.537224000	 5.863499000
 C	-0.044666000	-0.839098000	 4.647757000
 C	-0.277216000	 0.572318000	 4.632180000
 C	-0.465808000	 1.272886000	 5.832538000
 C	-0.422639000	 0.567879000	 7.033060000
 C	-0.192368000	-0.830068000	 7.048501000
 H	 0.173640000	-2.610500000	 5.876222000
 H	-0.643014000	 2.346087000	 5.821768000
 H	-0.567095000	 1.094069000	 7.973819000
 H	-0.163629000	-1.354446000	 8.000835000
 Br	 0.314578000	-0.146759000	-3.961410000

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

