%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
 C                 -1.70762500    0.17802300    0.03106900
 C                 -3.91958900    0.70426800    0.00131900
 N                 -2.45415300   -0.92519800    0.04005000
 N                 -3.80097400   -0.66003500   -0.05731500
 C                 -2.65716300    1.24968900    0.01877200
 H                 -2.39014600    2.29628300    0.00683700
 H                 -4.90260300    1.15649200    0.00233200
 Zr                 0.70606800    0.04072800   -0.00043200
 Cl                 3.14242600   -0.26464100   -0.04155400
 Cl                 0.17201400   -2.48861300   -0.04422700
 Cl                 0.61676100    2.51578700    0.05035500
 Cl                 0.39541900   -0.03500600    2.47228900
 Cl                 0.32472800    0.06192200   -2.46378600
 C                 -1.90076952   -2.28213087   -0.07570795
 H                 -2.34524546   -2.91301058    0.66546135
 H                 -2.11265501   -2.67186172   -1.04941961
 H                 -0.84160527   -2.24921932    0.07257527
 C                 -4.76046094   -1.62948233    0.49082430
 H                 -4.76668460   -2.50882490   -0.11878042
 H                 -4.47442101   -1.88923481    1.48862679
 H                 -5.73867900   -1.19603908    0.50161210

-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

