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

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
-1 1
H 0.371241 0.374962 -3.488722
H 0.380285 -0.368827 -3.489446
Zr -0.132639 -0.001156 0.164155
Cl 0.221109 -0.001495 2.554581
Cl -0.319137 2.124859 -0.985936
Cl -0.287561 -2.126705 -0.991578
Cl 2.315357 0.017227 -0.224042
Cl -2.5889 -0.020068 0.502436

-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


