%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
P 1.53235533 -0.00052247 0.00178561
Cl 2.49267647 1.87079576 0.01731102
Cl 2.49304571 -0.91631697 -1.63001581
Cl 2.50510137 -0.95080241 1.60973063
Zn -1.52605913 -0.00075706 0.00024423
Cl -1.47223357 1.09197173 1.94157487
Cl -1.45293879 1.13415154 -1.91659256
Cl -1.47166809 -2.22798513 -0.02353307

-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


