%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
0 1
He 1.274814 0.000253 -0.015629
W -0.925722 0.000038 0.002038
C -0.930887 -1.448115 -1.485476
C -0.930854 1.487189 -1.446492
C -2.902356 -0.000139 0.019374
C -0.903854 -1.487533 1.450113
C -0.903678 1.448554 1.489184
O -0.962319 -2.25256 -2.311686
O -0.962286 2.313344 -2.250993
O -4.063305 -0.000281 0.029363
O -0.919969 -2.314025 2.254707
O -0.91965 2.2532 2.315627

-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


