%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 -0.5495257 -0.00003567 0.00038202
Cl -1.44710574 1.49915934 1.11175607
Cl -1.44578904 -1.71285162 0.74300962
Cl -1.4465034 0.21266057 -1.85396211
Cu 1.67163732 0.00042337 0.00044864
C 3.59816062 0.00007253 -0.00000974
H 3.98217907 -0.17786082 -1.01394585
H 3.98286652 0.96690916 0.35272321
H 3.98262735 -0.7890718 0.66076221

-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


