%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: 0 1 B 1.486708 -0.000461 0.000116 O 2.262334 -1.14427 -0.07029 C 3.648125 -0.769276 0.065704 C 3.647766 0.768824 -0.070421 O 2.262321 1.143492 0.069022 H 4.231897 -1.271259 -0.712138 H 4.005064 -1.103329 1.047612 H 4.233428 1.27076 0.706008 H 4.002178 1.103082 -1.053221 Au -0.595069 -0.000299 0.001208 P -3.044481 -0.000445 -0.003977 H -3.725562 -0.092957 -1.238768 H -3.739665 -1.020119 0.684603 H -3.740244 1.109557 0.526108 -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