%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 5
 16       1.173072      -0.180658      -1.171309
 6       2.102231       1.111363      -0.466513
 6       3.181629       0.631030       0.219686
 6       3.268049      -0.802463       0.190912
 6       2.248129      -1.380405      -0.512764
 1       1.733376       2.124078      -0.559365
 1       3.876099       1.267268       0.758957
 1       4.042698      -1.371174       0.696000
 1       2.044001      -2.431488      -0.669098
 26      -1.119751       0.013306       0.241255
 17      -1.360900       2.167217      -0.644607
 17      -2.172583      -1.716240      -0.812375
 17      -0.357812      -0.121638       2.377799

-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


