%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 0.74189593 -0.02851891 0.01809611
Cl 1.4216153 1.74266416 0.92548925
Cl 1.66675371 0.15331483 -1.86472929
Cl 2.05579451 -1.41305555 0.92626896
Ni -1.26802492 -0.33638864 0.04703783
P -3.37915122 0.11041222 -0.01496564
H -4.38720155 -0.86411105 0.19001899
H -3.8632169 1.0792274 0.89474274
H -3.89932985 0.67554054 -1.20247596

-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


