%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
S 2.206806 0.000002 -0.000002
Ta -0.031771 0. 0.
C -0.865191 -2.094172 -0.008101
C -0.865252 0.008101 -2.094145
C -0.865195 2.09417 0.008103
C -0.865247 -0.008103 2.094147
H -0.545223 -2.65518 -0.900021
H -1.968053 -2.073563 -0.006424
H -0.542667 -2.662474 0.878256
H -0.545334 0.90003 -2.655166
H -1.968114 0.006404 -2.073473
H -0.542747 -0.878249 -2.662468
H -1.968057 2.073558 0.006411
H -0.542662 2.662477 -0.878249
H -0.54524 2.655175 0.900028
H -0.545324 -0.900031 2.655167
H -1.968109 -0.00641 2.073479
H -0.542744 0.878247 2.662471

-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


