%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 0. 0.415948 0.
C 1.202122 1.152903 0.
C 1.204805 2.55235 0.
C -0.005556 3.253044 0.
C -1.213171 2.547656 0.
C -1.205013 1.14822 0.
H 2.157872 0.630804 0.
H 2.147922 3.094719 0.
H -0.007675 4.34053 0.
H -2.158393 3.086349 0.
H -2.158726 0.622406 0.
Zn 0.002804 -1.524401 0.
C 0.004195 -3.47509 0.
H -1.020445 -3.870704 0.
H 0.51552 -3.87113 -0.887539
H 0.51552 -3.87113 0.887539

-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


