%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
P 1.25815059 -0.00433787 -0.01314118
F 2.0476006 1.36277682 -0.02955278
F 1.95960579 -0.72468314 -1.22669812
F 2.00073177 -0.72015952 1.17874061
Pt -0.97697626 0.02339406 0.02230965
F -2.92046207 -0.02656111 0.04818446
F -0.98639018 0.06188409 -1.95668213
F -0.93716907 -0.00813022 2.00013866
F -1.02711405 1.99532428 0.05713171
F -0.87964021 -1.95979816 -0.01302854

-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


