%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 1.53130702 0.0006122 0.01939641
Cl 2.47301271 1.86239756 -0.02872777
Cl 2.55406726 -1.01393356 -1.49631654
Cl 2.39448447 -0.84062055 1.71862731
Zr -1.66324268 -0.01122379 -0.03902293
Cl -4.04414348 -0.04114782 0.07370654
Cl -1.20061708 2.21762753 -0.97963749
Cl -1.03642532 0.92101493 2.16581275
Cl -1.20699507 -0.9198203 -2.28026446
Cl -1.06477263 -2.2357855 0.85520438

-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


