%mem=3200MB
%nprocshared=4
#p opt=(maxstep=2,maxcycles=25) freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

of-vacuum-ligands

0 1
 C                  0.00001100   -1.57287400   -0.00019100
 N                 -1.06245300   -0.71226200    0.00020400
 C                 -0.68222300    0.63602200    0.00007000
 C                  0.68222900    0.63602600   -0.00009900
 N                  1.06245600   -0.71226500   -0.00035200
 C                 -2.44371600   -1.16324300    0.00005400
 H                 -2.97326400   -0.80381000    0.89048800
 H                 -2.97254300   -0.80543700   -0.89147500
 H                 -2.43472600   -2.25403700    0.00104700
 C                  2.44372600   -1.16323200    0.00006500
 H                  2.97366000   -0.80307700   -0.88984300
 H                  2.97217000   -0.80615500    0.89212000
 H                  2.43474500   -2.25402200   -0.00181300
 C                 -1.66791100    1.75794200   -0.00001900
 H                 -2.31896800    1.73024200   -0.88449000
 H                 -2.31995100    1.72945900    0.88368800
 H                 -1.15253200    2.72354400    0.00073000
 C                  1.66789000    1.75796400    0.00013000
 H                  2.31897800    1.73014900    0.88457500
 H                  2.31990500    1.72965100   -0.88360100
 H                  1.15246800    2.72354400   -0.00045300

-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



