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

Cat_N_SiH_t_v2_SP

0 3
 Cu	-0.885850000	-0.407743000	-1.750699000
 N	 0.826886000	-1.384613000	-2.522804000
 N	 2.036663000	-1.042783000	-1.996883000
 N	 0.212105000	 1.417703000	-1.664494000
 N	 1.517140000	 1.329385000	-1.283236000
 N	-0.094987000	-0.792091000	 0.189603000
 N	 1.241821000	-0.572733000	 0.354867000
 B	 2.104273000	-0.034485000	-0.821584000
 C	 1.050149000	-2.239273000	-3.517504000
 C	 2.432816000	-2.463576000	-3.670833000
 C	 3.018484000	-1.677153000	-2.679600000
 C	-0.022262000	 2.689228000	-1.980873000
 C	 1.144553000	 3.462149000	-1.829558000
 C	 2.098601000	 2.547869000	-1.383819000
 C	-0.568774000	-1.244895000	 1.346754000
 C	 0.460226000	-1.334676000	 2.303241000
 C	 1.594028000	-0.894231000	 1.623055000
 H	 3.223841000	 0.106747000	-0.471142000
 N	-2.549548000	-0.692334000	-2.391553000
 S	-4.114599000	-0.967662000	-2.881670000
 O	-4.157569000	-2.249167000	-3.600243000
 O	-4.573024000	 0.260145000	-3.553022000
 C	-4.901448000	-1.128278000	-1.302410000
 C	-5.112550000	-2.403608000	-0.769792000
 C	-5.222873000	 0.032607000	-0.584178000
 C	-5.671121000	-2.512110000	 0.501432000
 H	-4.849076000	-3.286910000	-1.341187000
 C	-5.774501000	-0.099641000	 0.683312000
 H	-5.047579000	 1.012416000	-1.015557000
 C	-6.007023000	-1.368620000	 1.246609000
 H	-5.849718000	-3.497131000	 0.922650000
 H	-6.030426000	 0.790907000	 1.250115000
 C	-6.626650000	-1.488179000	 2.613398000
 H	-6.174467000	-0.780175000	 3.315575000
 H	-7.697956000	-1.255721000	 2.567270000
 H	-6.520390000	-2.498242000	 3.017592000
 Br	-2.394777000	-1.666914000	 1.539822000
 Br	-1.735240000	 3.248566000	-2.530843000
 Br	-0.372418000	-2.983189000	-4.490276000
 Br	 3.288966000	-3.574570000	-4.925529000
 Br	 4.849133000	-1.455014000	-2.313680000
 Br	 3.347481000	-0.741200000	 2.289525000
 Br	 0.333424000	-1.915831000	 4.089471000
 Br	 1.363839000	 5.303365000	-2.147873000
 Br	 3.910881000	 2.869448000	-1.001200000
 H	 2.279887000	 0.878139000	-3.776129000
 Si	 2.278589000	 1.171282000	-5.230418000
 C	 3.778517000	 0.361427000	-6.032446000
 C	 2.333405000	 3.047757000	-5.429010000
 C	 0.671904000	 0.478967000	-5.934718000
 H	 4.702456000	 0.712241000	-5.558399000
 H	 3.747113000	-0.728680000	-5.935472000
 H	 3.843190000	 0.601421000	-7.099987000
 H	 1.441007000	 3.515441000	-4.998958000
 H	 3.209389000	 3.470420000	-4.923086000
 H	 2.381756000	 3.334724000	-6.485957000
 C	-0.537090000	 0.667671000	-5.239111000
 C	 0.615166000	-0.191920000	-7.169395000
 C	-1.756097000	 0.229321000	-5.756874000
 H	-0.529194000	 1.157123000	-4.270508000
 C	-0.600537000	-0.645180000	-7.691584000
 H	 1.527915000	-0.367155000	-7.734574000
 C	-1.788772000	-0.429362000	-6.989555000
 H	-2.672976000	 0.395639000	-5.199343000
 H	-0.619812000	-1.161986000	-8.647712000
 H	-2.734923000	-0.776458000	-7.396223000

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

-Cu 0
def2

