%mem=3200MB
%nprocshared=4
#p opt freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

of-vacuum-ligands

0 1
 C                 -0.00001200   -1.33819700   -0.00005000
 N                  1.06645500   -0.51341800   -0.00061000
 C                  0.77396300    0.93808300    0.00067900
 C                 -0.77394600    0.93809800   -0.00058800
 N                 -1.06646400   -0.51340100    0.00058100
 H                  0.45076148    1.27644364   -0.99051113
 H                 -0.12732463    1.21107418    0.84129562
 H                  2.00947800   -0.86947400   -0.00018800
 H                 -2.00949400   -0.86943800   -0.00010900
 H                  1.65631682    1.51817946    0.29464143
 H                 -1.69633618    1.52658875    0.06535715

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


