%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
         15           0        0.000106   -0.000266    1.263536
                6           0        1.378248   -0.924385    0.438760
                6           0        2.066325   -0.470843   -0.698198
                6           0        1.749269   -2.157505    1.003629
                6           0        3.094332   -1.235663   -1.259297
                1           0        1.800792    0.481136   -1.148745
                6           0        2.766443   -2.928105    0.435818
                1           0        1.236339   -2.517955    1.893192
                6           0        3.444505   -2.467023   -0.697714
               1           0        3.618350   -0.868968   -2.138776
               1           0        3.035540   -3.881878    0.883095
               1           0        4.242787   -3.060652   -1.136108
               6           0        0.111226    1.655661    0.439051
               6           0       -0.623483    2.023353   -0.699653
               6           0        0.991589    2.594488    1.005411
               6           0       -0.474833    3.295676   -1.261396
              1           0       -1.313171    1.316216   -1.151445
               6           0        1.150183    3.860645    0.437382
               1           0        1.558842    2.331247    1.896060
               6           0        0.414375    4.215762   -0.698311
               1           0       -1.052732    3.565117   -2.142289
               1           0        1.839786    4.571541    0.885961
               1           0        0.529522    5.203695   -1.137130
              6           0       -1.489599   -0.731313    0.438517
               6           0       -1.441175   -1.550748   -0.700825
              6           0       -2.742625   -0.439018    1.005644
               6           0       -2.617611   -2.057849   -1.262351
               1           0       -0.484327   -1.795056   -1.153178
               6           0       -3.918702   -0.934247    0.437712
               1           0       -2.797857    0.182790    1.897049
              6           0       -3.858818   -1.748133   -0.698637
               1           0       -2.562239   -2.692709   -2.143512
              1           0       -4.879000   -0.692826    0.886813
               1           0       -4.772128   -2.142213   -1.137275

-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


