%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 0.000547 0.749136 0.004715
C -1.191842 1.522605 -0.028191
C -1.205291 2.925043 -0.032958
C -0.001613 3.642048 -0.004551
C 1.203174 2.927027 0.028564
C 1.191821 1.52461 0.032667
H -2.149616 1.001704 -0.051057
H -2.155347 3.462917 -0.059012
H -0.002426 4.732264 -0.00808
H 2.152405 3.466513 0.05103
H 2.150384 1.005258 0.058776
Ni 0.002027 -1.179458 0.005444
P -0.000051 -3.224381 -0.002715
H 1.174449 -4.012447 -0.277257
H -0.357005 -4.011434 1.149741
H -0.827569 -4.001163 -0.889614

-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


