%nprocshared=24
%mem=120GB
#p opt freq=noraman b3lyp/genecp scrf=(smd,solvent=toluene) nosymm empiricaldispersion=gd3

aductarylBr19_tol

0 1
 Au	-0.893741000	-0.913827000	 1.440221000
 P	 1.329234000	-0.412306000	 1.765005000
 C	 1.522129000	 0.876160000	 3.047055000
 H	 1.039273000	 0.514745000	 3.959105000
 H	 2.583648000	 1.069123000	 3.233697000
 H	 1.033053000	 1.798529000	 2.723147000
 C	 2.274402000	-1.843943000	 2.396775000
 H	 2.283543000	-2.638213000	 1.645352000
 H	 3.301423000	-1.548883000	 2.634378000
 H	 1.766746000	-2.204903000	 3.295862000
 C	 2.265244000	 0.199684000	 0.314478000
 H	 3.300097000	 0.420133000	 0.595505000
 H	 2.255207000	-0.559820000	-0.472159000
 H	 1.791370000	 1.108188000	-0.067303000
 Sn	-3.911365000	 0.250941000	 2.636910000
 C	-2.407086000	 1.682123000	 3.252852000
 H	-1.648742000	 1.157804000	 3.838529000
 H	-1.939215000	 2.151815000	 2.382325000
 H	-2.863839000	 2.464251000	 3.868377000
 C	-5.416430000	 1.238557000	 1.421997000
 H	-4.946587000	 1.782492000	 0.596372000
 H	-6.115295000	 0.508795000	 1.002210000
 H	-5.983865000	 1.956210000	 2.023084000
 C	-4.745547000	-0.865856000	 4.285576000
 H	-5.469759000	-1.604178000	 3.928886000
 H	-3.929124000	-1.374871000	 4.805191000
 H	-5.247667000	-0.192029000	 4.986747000
 C	-3.131464000	-1.304103000	 1.224827000
 C	-3.220203000	-1.075160000	-0.179961000
 C	-3.033058000	-2.661733000	 1.651316000
 C	-3.225994000	-2.131242000	-1.093979000
 H	-3.315713000	-0.057354000	-0.549243000
 C	-3.040549000	-3.715476000	 0.733865000
 H	-2.948422000	-2.874882000	 2.713640000
 C	-3.145065000	-3.448978000	-0.634726000
 H	-3.301566000	-1.927594000	-2.158300000
 H	-2.970452000	-4.740396000	 1.086604000
 H	-3.159969000	-4.270211000	-1.346057000
 Br	-0.884859000	-1.716951000	 4.775224000

-C -H -P -Cl -N -O -F 0
6-31G**
****
-Au -I -Br -Sn 0
SDD
****

-Au 0
SDD
-I -Br -Sn 0
SDD


