%nproc=4
%mem=3400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
 50      -0.008410      -0.000886       0.000000
 6       0.045970       2.144861       0.000000
 6      -0.008410      -1.070828       1.860800
 6      -0.008410      -1.070828      -1.860800
 1       1.092296       2.475937       0.000000
 1      -0.441165       2.537552      -0.896782
 1      -0.441165       2.537552       0.896782
 1       1.027837      -1.203141       2.196992
 1      -0.547781      -0.502580       2.623984
 1      -0.462248      -2.057265       1.733925
 1       1.027837      -1.203141      -2.196992
 1      -0.462248      -2.057265      -1.733925
 1      -0.547781      -0.502580      -2.623984

-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


