%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:
        
-1 1
P -2.622695 0.00213 -0.160143
H -3.316007 -1.230787 -0.164747
H -3.299169 0.6118 -1.244086
H -3.332808 0.625157 0.891126
Zr 0.290446 -0.000167 0.009658
Cl 2.685674 -0.003976 0.264914
Cl -0.022546 -2.261992 -0.967378
Cl -0.349885 -0.943284 2.227799
Cl 0.107397 0.937226 -2.280003
Cl -0.204723 2.270177 0.903698

-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


