%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:

-1 1
S 2.18342226 0.20779921 -0.14664272
H 2.3177277 -1.14206136 -0.17177365
H 2.35161844 0.28104926 1.19766719
Pt -0.18319447 0.08565787 0.03930324
F -2.1119879 -0.07466752 0.25407843
F -0.30989879 2.05509379 0.0180561
F 0.06971564 -1.88592441 0.06109303
F 0.11836744 0.13471645 2.00356868
F -0.35857232 0.0329037 -1.92578031

-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


