%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
C 1.01371171 -0.08007698 -0.00601674
C 1.80092027 -1.1662604 -0.02240653
H 2.89419533 -1.08122077 -0.03693584
H 1.3723916 -2.16700782 -0.02193647
H 1.45581067 0.92312568 -0.00681575
Pt -0.98442775 -0.01422971 0.02215983
F -3.08508127 0.11302083 0.05181443
F -1.01118881 0.01141986 -1.97745396
F -0.95786668 -0.03105028 2.02182628
F -0.82123178 1.98186837 0.04094627
F -1.08897079 -2.01044145 0.00222083

-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


