%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: 1 1 C 0.93458186 -0.00050961 -0.00041521 C 2.16270669 -0.00164672 0.00038276 H 3.24042136 -0.0017402 0.00051338 Os -0.9936886 0.00243673 -0.00027471 O -1.50522207 -1.61916257 -0.00001122 O -1.50074486 0.81442807 1.40496328 O -1.50180178 0.81445502 -1.40515847 -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