%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
-2 1
C -0.043347 -0.082246 -2.440673
H 0.871801 0.361117 -2.863353
H -0.114028 -1.128054 -2.77477
H -0.913619 0.469462 -2.827988
Zr 0.001747 0.003293 -0.122321
Cl -0.012784 -0.022468 2.501133
Cl 2.072859 1.472173 -0.223547
Cl 1.481793 -2.05943 -0.207135
Cl -1.438782 2.093769 -0.217023
Cl -2.08273 -1.445268 -0.206195

-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


