%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:

-1 1
S -3.53870385 -1.03318862 0.19876966
C -2.02396441 -0.42332696 -0.39772168
C -1.96599818 0.94341796 -0.31814163
C -3.15959045 1.51428975 0.22988598
C -4.10285503 0.57272721 0.55448792
H -1.258611 -1.10261158 -0.75553681
H -1.09686198 1.51400681 -0.62939402
H -3.30384797 2.5798058 0.37976689
H -5.08479435 0.7275069 0.98436267
Zn 1.61975499 -0.02754296 -0.00407451
Cl 1.59855266 1.94043081 -1.05755606
Cl 2.01145788 -0.15096747 2.17554785
Cl 1.2887407 -1.88355465 -1.20579128

-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


