%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:

-2 1
S 1.31205513 -0.05058614 -0.03664746
C 1.82767159 -1.65981325 -0.024405
N 2.33708652 -2.71971224 -0.01910129
Pt -1.08353917 -0.00457671 0.01725194
F -3.07219907 0.16717953 0.06183963
F -1.14130801 0.02489436 -1.97098101
F -1.05472957 -0.0247117 2.00600865
F -0.89605083 1.98450155 0.03897031
F -1.25111471 -1.97643416 -0.00553342

-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


