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

ts-sna-biphbiph_sp

0 2
 C	-0.630104000	 2.122133000	 1.956403000
 C	 0.345776000	 1.575896000	 1.096878000
 C	 0.603796000	 2.208380000	-0.110495000
 C	-0.020607000	 3.426454000	-0.457117000
 C	-0.900619000	 4.009516000	 0.479964000
 C	-1.174879000	 3.400273000	 1.694955000
 H	 0.835102000	 0.640562000	 1.344812000
 H	 1.299006000	 1.742370000	-0.802426000
 H	-1.348436000	 4.976151000	 0.269308000
 H	-1.837611000	 3.871809000	 2.411914000
 Br	-0.603928000	 1.510557000	 3.858604000
 C	-2.458228000	 0.431164000	 0.015129000
 C	-2.480074000	 0.937964000	 1.300128000
 C	-3.611919000	 0.959480000	 2.094199000
 C	-4.791630000	 0.417873000	 1.568456000
 C	-4.826076000	-0.122161000	 0.268493000
 C	-3.645675000	-0.108073000	-0.497435000
 H	-1.556208000	 0.448698000	-0.590691000
 H	-3.598285000	 1.367427000	 3.101601000
 H	-5.687207000	 0.398121000	 2.184487000
 H	-3.656564000	-0.498735000	-1.511957000
 C	 0.254113000	 4.085867000	-1.754040000
 C	-0.758731000	 4.794504000	-2.428225000
 C	 1.529150000	 4.020444000	-2.347877000
 C	-0.505094000	 5.415297000	-3.651501000
 H	-1.757980000	 4.837437000	-2.004159000
 C	 1.781386000	 4.642500000	-3.570531000
 H	 2.335103000	 3.501187000	-1.837126000
 C	 0.765894000	 5.342651000	-4.228734000
 H	-1.304672000	 5.949457000	-4.158175000
 H	 2.775760000	 4.586439000	-4.005833000
 H	 0.963186000	 5.826484000	-5.181618000
 C	-6.083414000	-0.690750000	-0.284428000
 C	-7.327590000	-0.094314000	-0.009480000
 C	-6.061558000	-1.838091000	-1.098321000
 C	-8.508229000	-0.626579000	-0.529689000
 H	-7.367942000	 0.805331000	 0.598488000
 C	-7.242092000	-2.368914000	-1.620341000
 H	-5.115428000	-2.330487000	-1.305956000
 C	-8.471187000	-1.765868000	-1.338640000
 H	-9.457346000	-0.144463000	-0.309533000
 H	-7.201702000	-3.260123000	-2.241480000
 H	-9.390350000	-2.179743000	-1.744802000

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

