%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:
        
-1 1
H -0.0006 -0.000305 -1.985341
W -0.000069 -0.000033 -0.151384
C 1.333595 1.558159 -0.323525
C 1.558306 -1.33359 -0.322863
C 0.000168 0.000065 1.883323
C -1.558294 1.333728 -0.322928
C -1.333554 -1.558442 -0.32319
O 2.086353 2.437104 -0.463802
O 2.438318 -2.085274 -0.462204
O 0.000115 0.000512 3.057159
O -2.43811 2.085608 -0.462403
O -2.086133 -2.437544 -0.463395

-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


