%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 1.57551857 -0.0001952 -0.01784422
W -1.09730431 -0.00008307 0.00354602
C -0.93884889 -1.43364671 -1.46997265
C -0.93129399 1.47183975 -1.43069893
C -3.08466223 0.00016073 0.02005979
C -0.90379046 -1.47198647 1.43523698
C -0.9123351 1.43344528 1.47466616
O -0.84002815 -2.24722838 -2.30410423
O -0.82508469 2.30635949 -2.24289735
O -4.28036804 0.00101143 0.02825234
O -0.78324064 -2.30572285 2.24607269
O -0.79862809 2.24597127 2.3078134

-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


