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

Brtransmetaryl_tol

0 1
 Au	-1.696942000	-0.313940000	 2.917575000
 P	 0.611320000	-0.153840000	 2.358584000
 C	 1.772232000	-1.088544000	 3.421334000
 H	 1.471622000	-2.138804000	 3.430072000
 H	 2.792347000	-1.002084000	 3.033630000
 H	 1.739086000	-0.694478000	 4.440162000
 C	 0.909969000	-0.816351000	 0.677525000
 H	 0.342414000	-0.232147000	-0.052481000
 H	 1.974856000	-0.779912000	 0.427078000
 H	 0.555040000	-1.850393000	 0.652123000
 C	 1.287616000	 1.550938000	 2.324532000
 H	 2.336038000	 1.546843000	 2.010054000
 H	 0.703009000	 2.159758000	 1.628907000
 H	 1.210310000	 1.993616000	 3.321790000
 Sn	-1.951061000	-2.121897000	 5.155633000
 C	-0.111511000	-3.056573000	 5.812299000
 H	 0.137833000	-3.909917000	 5.182224000
 H	 0.713227000	-2.341663000	 5.814125000
 H	-0.280731000	-3.391940000	 6.842782000
 C	-2.150603000	-0.341145000	 6.402780000
 H	-1.452198000	 0.437454000	 6.084830000
 H	-3.169970000	 0.045612000	 6.345957000
 H	-1.921825000	-0.619664000	 7.438323000
 C	-3.733944000	-3.330765000	 5.252776000
 H	-4.620678000	-2.695028000	 5.215601000
 H	-3.750131000	-4.037977000	 4.423228000
 H	-3.721771000	-3.881290000	 6.200144000
 C	-3.751387000	-0.384185000	 3.169662000
 C	-4.509669000	-1.369076000	 2.504361000
 C	-4.449742000	 0.624573000	 3.865125000
 C	-5.907528000	-1.337409000	 2.518358000
 H	-3.996226000	-2.178925000	 1.991849000
 C	-5.847361000	 0.656408000	 3.883019000
 H	-3.898056000	 1.392394000	 4.401064000
 C	-6.579890000	-0.325970000	 3.209935000
 H	-6.470727000	-2.109250000	 1.999427000
 H	-6.363950000	 1.445723000	 4.423852000
 H	-7.666358000	-0.305794000	 3.229171000
 Br	-1.279273000	-3.692653000	 2.449476000

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

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


