%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: 0 1 O 0.58691921 1.62122962 0.28246303 C 0.11504837 1.54621937 1.59407785 H 0.43917387 2.44215249 2.15250989 H -0.99331077 1.50907345 1.66341638 Pd 0.07445078 0.05420375 -1.01646302 P 2.33195883 -0.25868092 -0.72274105 P -2.16314904 0.5205116 -1.1868475 H -0.1502409 -1.12457735 -2.04592036 H 2.70202067 -0.46610094 0.62162718 H 3.14507063 -1.24204044 -1.33583102 H 3.08730997 0.89415741 -1.00876283 H -3.12558598 -0.47776109 -0.92032938 H -2.67706498 1.5531821 -0.37031913 H -2.66105882 0.95457678 -2.43457465 H 0.4933746 0.66335224 2.1506792 -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