%mem=3200mb
%nproc=4
#p B3LYP/genecp opt=modredun scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-3 1
 S                  2.45807000   -0.02657500   -0.71622000
 Zr                 0.22044600   -0.00238300   -0.06328400
 Cl                -2.31025046    0.02473902    0.65207592
 Cl                -0.01967300    2.61516600    0.02237700
 Cl                 0.66556900   -0.00596800    2.52745900
 Cl                -0.78212100    0.00742000   -2.49106700
 Cl                -0.07554400   -2.61406300    0.02447600

B 3 2 F

-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


