%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: 2 1 B 1.140414 0.087002 -0.122439 O 1.930349 -0.678795 0.67859 C 3.330572 -0.333713 0.380226 C 3.243937 0.693199 -0.782073 O 1.801159 0.916118 -0.976269 H 3.852226 -1.252316 0.107171 H 3.770887 0.080447 1.28924 H 3.703476 1.654008 -0.545047 H 3.650521 0.315431 -1.72212 Co -0.825091 0.001937 -0.0513 N -0.656811 0.281043 1.943688 N -3.043978 -0.116587 0.030249 N -0.784689 -0.250672 -2.057017 N -0.690337 -1.986431 0.2969 N -0.894655 1.993726 -0.403414 H -0.36837 1.224524 2.216342 H -1.51162 0.0967 2.477301 H 0.068161 -0.326612 2.338804 H -3.51497 0.790553 -0.021002 H -3.457244 -0.666381 -0.727525 H -3.41683 -0.545393 0.881187 H -0.093795 0.374215 -2.485704 H -0.508119 -1.185393 -2.369219 H -1.674757 -0.061301 -2.527662 H 0.252677 -2.245415 0.609221 H -1.329833 -2.316644 1.025262 H -0.885776 -2.584198 -0.510449 H 0.008218 2.340896 -0.747234 H -1.583467 2.25801 -1.113663 H -1.122823 2.572225 0.409577 -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