%mem=3200mb %nproc=4 #p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8) freq 5D 7F scf=nosym empiricaldispersion=gd3 Bitartekari zentralaren dobletea base handiagoa erabiliz: -2 1 O 0.74989604 0.3733325 -0.24465149 C 1.63282734 1.40850552 0.02400043 H 1.33623924 2.31862779 -0.52472189 H 1.63103624 1.64505033 1.10169423 H 2.65913715 1.12708749 -0.27854106 Zr -1.17777581 -0.05176354 -0.07278539 Cl -3.72120281 -0.27667718 0.29347071 Cl -1.58108597 2.31457908 -1.02402342 Cl -0.98063968 0.93790112 2.3041848 Cl -1.33418123 -1.03580656 -2.41950108 Cl -0.7435356 -2.38850684 0.84965236 -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