%nprocshared=24
%mem=120GB
#p B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=dichloromethane) int=grid=ultrafine

Cat_NH_Si_t_v1_SP

0 3
 N	 1.621495000	 0.281969000	 1.296370000
 N	 1.305444000	 1.613494000	 1.267261000
 N	-0.648683000	-0.748911000	 1.626937000
 N	-1.231652000	 0.457273000	 1.881290000
 N	 0.348436000	-0.475902000	-0.736810000
 N	 0.006526000	 0.790549000	-1.104649000
 C	 2.342051000	 2.269704000	 1.784990000
 C	 3.359410000	 1.377322000	 2.171870000
 C	 2.852067000	 0.123899000	 1.840120000
 C	-2.081746000	 0.278499000	 2.884098000
 C	-2.094520000	-1.070281000	 3.296307000
 C	-1.160225000	-1.684308000	 2.466658000
 C	 0.063395000	 0.862926000	-2.432505000
 C	 0.435919000	-0.383662000	-2.967815000
 C	 0.607588000	-1.201525000	-1.851746000
 B	 0.632155000	-0.799785000	 0.756587000
 H	 1.125388000	-1.870376000	 0.835919000
 N	-2.135183000	 3.011982000	-0.221354000
 S	-3.680187000	 2.518873000	-0.664125000
 O	-4.607249000	 2.850823000	 0.431233000
 O	-3.968001000	 3.040397000	-2.015465000
 C	-3.560289000	 0.738841000	-0.773588000
 C	-3.052066000	 0.165206000	-1.943223000
 C	-3.959131000	-0.053957000	 0.301332000
 C	-2.900352000	-1.215359000	-2.009014000
 H	-2.790114000	 0.793770000	-2.786181000
 C	-3.803638000	-1.437843000	 0.217511000
 H	-4.388001000	 0.407579000	 1.182700000
 C	-3.255516000	-2.036805000	-0.925152000
 H	-2.505793000	-1.666969000	-2.914740000
 H	-4.112814000	-2.060072000	 1.051933000
 Cu	-0.635013000	 2.039417000	 0.407505000
 C	-3.036309000	-3.525858000	-0.999455000
 H	-3.522046000	-4.048398000	-0.171116000
 H	-3.418291000	-3.936482000	-1.940294000
 H	-1.965200000	-3.758910000	-0.960748000
 Br	 3.682584000	-1.547219000	 2.084206000
 Br	 5.022257000	 1.781973000	 2.956059000
 Br	 2.372229000	 4.150901000	 1.928050000
 Br	 0.637175000	-0.842910000	-4.781546000
 Br	-0.345856000	 2.491392000	-3.324789000
 Br	 1.084308000	-3.019889000	-1.814868000
 Br	-0.662295000	-3.498038000	 2.428260000
 Br	-3.148053000	-1.863131000	 4.639989000
 Br	-3.079758000	 1.717856000	 3.579211000
 H	-1.902346000	 3.765742000	-0.875700000
 Si	-1.237312000	 5.850793000	-3.732214000
 C	-2.762781000	 6.278905000	-4.758130000
 C	 0.317417000	 6.785116000	-4.263373000
 C	-1.558323000	 6.031285000	-1.892945000
 H	-2.546857000	 6.185353000	-5.827821000
 H	-3.602485000	 5.616074000	-4.525624000
 H	-3.083409000	 7.311739000	-4.566433000
 H	 1.198390000	 6.455603000	-3.702699000
 H	 0.520284000	 6.630483000	-5.328521000
 H	 0.194152000	 7.863366000	-4.093725000
 C	-2.874786000	 6.087458000	-1.384221000
 C	-0.494341000	 6.073094000	-0.963268000
 C	-3.117535000	 6.192498000	-0.012994000
 H	-3.720386000	 6.036864000	-2.062938000
 C	-0.737483000	 6.181777000	 0.407069000
 H	 0.534516000	 6.026594000	-1.312991000
 C	-2.049455000	 6.241832000	 0.886699000
 H	-4.139625000	 6.225014000	 0.352591000
 H	 0.095092000	 6.222930000	 1.103121000
 H	-2.237931000	 6.319094000	 1.953711000

-C -N -H -B -O -S -Br -Si 0
def2TZVP
****
-Cu 0
def2QZVP
****

-Cu 0
def2

