%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:

0 1
P -1.7421315 -0.00696135 0.01065429
Cl -2.67362383 -1.39554521 -1.22400843
Cl -2.68824338 1.75328471 -0.55750392
Cl -2.65503314 -0.3983119 1.83748114
Ni 0.4250472 0.00286474 -0.00321729
P 1.07370489 0.16386097 -2.02114076
P 1.09114412 -1.82150613 0.86376818
P 1.08564412 1.66931263 1.14334796
F 0.08124299 0.76822184 -3.11896865
F 2.35439457 1.0531287 -2.37000285
F 1.50341406 -1.15229018 -2.81912831
F 0.11524796 -3.08741556 0.85975173
F 2.3893279 -2.54489326 0.27756847
F 1.49711369 -1.86857371 2.40834873
F 0.09519361 2.32550413 2.21355285
F 2.36189876 1.5199166 2.09262412
F 1.52403598 3.01571997 0.40355376

-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


