%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
N -1.45297 0.000024 -0.00001
C -2.660532 -0.000052 -0.000004
S -4.241017 -0.000156 -0.000021
Ta 0.56005 0. -0.000005
C 1.42817 -0.559527 1.943842
C 1.427494 1.944138 0.559589
C 1.428076 0.559608 -1.943863
C 1.42824 -1.943854 -0.559489
H 1.099199 0.1458 2.721447
H 2.526457 -0.569 1.94139
H 1.083679 -1.564212 2.231209
H 1.097643 2.721397 -0.145737
H 2.525785 1.942444 0.568508
H 1.083258 2.231425 1.564367
H 2.526379 0.567795 -1.941787
H 1.084612 1.564609 -2.231253
H 1.098072 -0.145488 -2.721273
H 1.098436 -2.721266 0.145702
H 2.526541 -1.941652 -0.56784
H 1.084672 -2.23137 -1.564422

-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


