%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
F -0.000167 0.000161 2.035716
Ta -0.000013 0.000003 0.132673
C 2.023564 -0.072289 -0.730001
C 0.072334 2.023298 -0.730606
C -2.023457 0.072214 -0.730263
C -0.072195 -2.023391 -0.730404
H 2.609676 0.798657 -0.399829
H 2.024625 -0.078363 -1.828414
H 2.549304 -0.977498 -0.390265
H -0.798506 2.60959 -0.400503
H 0.078119 2.023811 -1.829026
H 0.977657 2.54916 -0.391364
H -2.024433 0.078096 -1.828677
H -2.549241 0.977469 -0.390719
H -2.609575 -0.798689 -0.39998
H 0.798549 -2.609616 -0.399919
H -0.077601 -2.024081 -1.828825
H -0.977614 -2.549233 -0.391389

-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


