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

SMAuaryl_tol

0 1
 Au	-0.299599000	 0.735678000	 0.022479000
 P	-2.659858000	 0.710532000	 0.013735000
 C	-3.444031000	 1.597624000	 1.416990000
 H	-3.115553000	 2.640815000	 1.414003000
 H	-4.535533000	 1.560799000	 1.339971000
 H	-3.130609000	 1.138121000	 2.358554000
 C	-3.410042000	 1.484251000	-1.471791000
 H	-3.061187000	 0.962231000	-2.367264000
 H	-4.502883000	 1.436389000	-1.426179000
 H	-3.094469000	 2.529353000	-1.535463000
 C	-3.413587000	-0.962038000	 0.063967000
 H	-3.088804000	-1.479958000	 0.970748000
 H	-4.506304000	-0.895774000	 0.053949000
 H	-3.076973000	-1.536836000	-0.803488000
 C	 1.769732000	 0.775042000	 0.006809000
 C	 2.493647000	 1.956888000	 0.284828000
 C	 2.536776000	-0.373670000	-0.293404000
 C	 3.892037000	 1.993192000	 0.262890000
 H	 1.955806000	 2.872669000	 0.521824000
 C	 3.935339000	-0.346476000	-0.317403000
 H	 2.033442000	-1.312582000	-0.514919000
 C	 4.619863000	 0.839309000	-0.038917000
 H	 4.413309000	 2.922866000	 0.481031000
 H	 4.490700000	-1.251841000	-0.553003000
 H	 5.706511000	 0.863919000	-0.057084000

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

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


