%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
 16       1.524570      -0.001306      -1.368399
 6       2.311968      -1.244191      -0.447845
 6       3.126745      -0.715841       0.517856
 6       3.125479       0.716335       0.517745
 6       2.309877       1.243100      -0.448117
 1       2.074597      -2.282806      -0.636876
 1       3.677530      -1.321210       1.230517
 1       3.675129       1.322789       1.230354
 1       2.070505       2.281234      -0.637257
 30      -1.214981       0.000229       0.229744
 17      -0.413253       0.000552       2.309306
 17      -1.694463       1.944511      -0.773708
 17      -1.697335      -1.944027      -0.772216

-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


