%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
N 1.756772 0.001043 0.000018
C 2.938241 0.000375 0.000122
S 4.577696 0.000414 0.000159
W -0.443917 0.00022 -0.000074
C -0.448521 1.536525 1.389711
C -0.446145 -1.389374 1.53633
C -2.452763 -0.001913 0.000017
C -0.448642 1.389743 -1.536585
C -0.445784 -1.536144 -1.38969
O -0.497701 2.395938 2.166335
O -0.493987 -2.166311 2.395537
O -3.625544 -0.004587 0.0007
O -0.497946 2.167028 -2.395401
O -0.493449 -2.395252 -2.166747

-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


