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

of-vacuum-complexes

-1 1
 Zr                 0.88634500   -0.09429200   -0.00000100
 Cl                 3.32481900   -0.18057000   -0.00002800
 Cl                 0.82535200   -1.81850000    1.72539500
 Cl                 0.94733100    1.62992100   -1.72539000
 Cl                 0.94737400    1.63001800    1.72529100
 Cl                 0.82532400   -1.81860800   -1.72528600
 C                 -1.33226700   -0.01579400    0.00001500
 C                 -2.55159100    0.69853500    0.00002900
 C                 -2.59560900   -0.64047100    0.00001900
 O                 -3.14299400    1.87981300    0.00001700
 O                 -3.22382000   -1.80084100    0.00004600
 C                 -2.22230400    3.00394200   -0.00001100
 C                 -2.36900653   -2.96696913    0.00009006
 H                 -1.59453900    2.97294300   -0.89521000
 H                 -2.85259000    3.89334000   -0.00008500
 H                 -1.59461100    2.97304400    0.89524300
 H                 -1.74175953   -2.97592550   -0.89743460
 H                 -1.74219150   -2.97615599    0.89791344
 H                 -3.04135582   -3.82557125   -0.00017883

-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


