%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 6
P 1.45427141 0.00067343 -0.00004394
Cl 2.29372841 1.86799148 0.01720283
Cl 2.29359252 -0.91606042 -1.62698433
Cl 2.29017207 -0.95118719 1.61163801
Fe -1.10375934 -0.00002233 -0.00032873
Cl -1.37590704 1.05796454 1.87817092
Cl -1.37729995 1.09743368 -1.85566114
Cl -1.37451879 -2.15625818 -0.0234887

-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


