%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
N 1.617114 -0.000033 0.000021
C 2.303421 1.15577 0.000068
C 3.697157 1.200165 0.000071
C 4.409516 0.000008 0.000021
C 3.69719 -1.200171 -0.000047
C 2.303452 -1.155821 -0.000043
H 1.704683 2.058989 0.000061
H 4.203132 2.161005 0.000124
H 5.497178 0.000025 0.000008
H 4.203193 -2.160994 -0.000119
H 1.704755 -2.059064 -0.000055
Zr -0.874743 -0.000037 0.000013
Cl -3.294575 0.000123 -0.000099
Cl -0.530827 -1.747903 1.741753
Cl -0.531049 -1.748582 -1.741015
Cl -0.531038 1.748585 1.740995
Cl -0.530596 1.747897 -1.741699

-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


