%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 3 I 1.64909169 -0.01890675 -0.01729173 Cr -1.09988144 0.00271454 -0.00267013 O -3.23621381 0.02007369 0.00874278 O -1.08084545 0.51298987 2.04119727 O -1.09284831 -2.04376153 0.50083926 O -1.06628511 2.04882281 -0.50673431 O -1.11084136 -0.50755105 -2.04656225 H -3.80766845 0.60004983 0.53940741 H -3.82285926 -0.55152023 -0.51438981 H -1.50612251 -0.08628261 2.67977584 H -0.1474861 0.59882273 2.32311962 H -0.15909249 -2.33195292 0.55716156 H -1.54512933 -2.68500133 -0.07425246 H -1.50180335 2.69682906 0.07369549 H -0.12865027 2.32194456 -0.57300746 H -0.18223874 -0.60868177 -2.33885671 H -1.5335173 0.09817904 -2.68075502 -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