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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-2 1
Si 1.37701914 0.00315328 0.01394698
H 2.05629448 1.36164341 0.03042797
H 2.03429076 -0.66693634 1.20693821
H 2.10693759 -0.67061379 -1.13671726
Zr -1.48296197 -0.01357683 -0.0235922
Cl -4.04872522 -0.01953897 0.05364594
Cl -1.360556 2.27879973 -1.05563389
Cl -1.28357853 1.00868167 2.27175609
Cl -1.37496999 -1.02285935 -2.32541044
Cl -1.30386805 -2.31963109 0.97341679

-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


