%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
Si 1.16549071 -0.0082213 -0.01683665
H 1.81684192 1.35276985 -0.02841551
H 1.80019196 -0.70462669 1.1592677
H 1.75541193 -0.70438845 -1.21616919
Pt -1.16021382 0.0144469 0.02312429
F -3.30182051 -0.01233402 0.05593472
F -1.16997596 0.05238119 -1.97930809
F -1.10993856 -0.01369655 2.02486588
F -1.18215043 2.01318922 0.05559913
F -1.09229335 -1.98980992 -0.01065993

-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


