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

of-vacuum-ligands

-1 1
 C                 -0.00006600   -2.12087100    0.00059300
 C                 -0.67975400   -0.88711800    0.02460500
 C                  0.67968900   -0.88711200   -0.02378000
 N                 -1.88051700   -0.27524700    0.07315700
 N                  1.88043100   -0.27530200   -0.07239300
 C                 -3.06247900   -1.16882900   -0.01890300
 H                 -2.61755800   -2.15469200   -0.18523300
 C                 -1.90002600    1.20247500    0.00207100
 H                 -0.97138000    1.50719700    0.49640500
 C                  1.90008100    1.20248300   -0.00206800
 H                  0.97129400    1.50705500   -0.49620400
 C                  3.06239700   -1.16889000    0.01908200
 H                  2.61754500   -2.15468100    0.18606300
 C                  3.85621000   -1.25804200   -1.29490400
 H                  3.17875000   -1.42537300   -2.13894500
 H                  4.44646800   -0.35854200   -1.49368200
 H                  4.55155400   -2.10517000   -1.24351700
 C                  3.96718200   -0.86946400    1.22299100
 H                  4.48615400    0.09029200    1.12708600
 H                  3.39166400   -0.86208000    2.15463700
 H                  4.73411400   -1.64917500    1.30290000
 C                  1.84263900    1.72419300    1.44532200
 H                  2.77971100    1.54065000    1.97976800
 H                  1.65658500    2.80580900    1.45130100
 H                  1.03336400    1.23414900    1.99856800
 C                  3.04005100    1.85161300   -0.79493600
 H                  4.02194800    1.64509400   -0.35887600
 H                  3.04281900    1.51272200   -1.83543800
 H                  2.90160600    2.93906400   -0.78921100
 C                 -3.04018600    1.85204000    0.79433400
 H                 -2.90167900    2.93948000    0.78820400
 H                 -4.02196900    1.64542100    0.35807100
 H                 -3.04327600    1.51354400    1.83496600
 C                 -1.84206300    1.72365300   -1.44549900
 H                 -2.77909000    1.54034200   -1.98011200
 H                 -1.65553900    2.80517900   -1.45178300
 H                 -1.03290200    1.23307800   -1.99844900
 C                 -3.85718400   -1.25748400    1.29458200
 H                 -4.55280200   -2.10437400    1.24288000
 H                 -3.18033100   -1.42494600    2.13907800
 H                 -4.44720600   -0.35772000    1.49283200
 C                 -3.96648400   -0.86972900   -1.22348800
 H                 -4.73326500   -1.64954300   -1.30379200
 H                 -4.48564100    0.08997500   -1.12808200
 H                 -3.39038600   -0.86241000   -2.15477900
 Zr                -0.00010728   -4.34087098    0.00091711
 Cl                -0.00015022   -6.78087085    0.00128413
 Cl                 1.63453006   -4.34116510   -1.81059092
 Cl                -1.63475009   -4.34056903    1.81241984
 Cl                -1.81161003   -4.34108421   -1.63372576
 Cl                 1.81140042   -4.34066598    1.63555486

-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

