%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
C -1.109434 -0.093653 0.000003
N -1.942983 0.967822 -0.000929
C -3.272491 0.584063 0.001151
C -3.270824 -0.778976 0.003807
N -1.938936 -1.159721 0.002914
H -4.086136 1.292347 0.000537
H -4.081962 -1.490287 0.005962
H -1.587408 1.919043 -0.004484
H -1.601375 -2.114241 0.003599
Al 0.923799 0.012974 -0.00083
Cl 1.542585 -0.954607 1.806359
Cl 1.541684 -1.00958 -1.777822
Cl 1.176756 2.158255 -0.0308

-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


