%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:
        
1 1
C -1.225376 -0.029135 -0.012719
N -2.051565 -1.10143 0.01186
C -3.376486 -0.722992 0.033087
C -3.383275 0.645329 0.019651
N -2.062484 1.035538 -0.009071
H -4.187212 -1.435914 0.051458
H -4.201138 1.350225 0.023992
H -1.725905 -2.061847 0.007391
H -1.73924 1.996729 -0.033546
Ti 0.885294 0.011245 -0.011367
Cl 1.263864 2.059671 -0.557219
Cl 1.394913 -1.498473 -1.451426
Cl 1.405117 -0.502053 2.005182

-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


