%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
S -2.348812 -0.000504 0.12517
H -2.566632 0.005205 -1.213715
Ta 0.065973 -0.000038 0.00402
C 0.88707 0.007426 -2.029502
C 0.914327 -2.035327 -0.038033
C 1.020575 -0.007132 1.975881
C 0.914272 2.035551 -0.023356
H 0.539967 -0.881944 -2.57625
H 1.984925 0.0063 -2.047534
H 0.541851 0.901802 -2.56922
H 0.601071 -2.593654 0.856929
H 2.012559 -2.042794 -0.070897
H 0.548347 -2.58781 -0.916473
H 2.117847 -0.004983 1.935425
H 0.7045 -0.901163 2.534248
H 0.701348 0.88168 2.540866
H 0.54605 2.594439 -0.896843
H 2.012412 2.043349 -0.059037
H 0.603258 2.587302 0.876411

-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


