%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
Cl 2.281363 0.000024 -0.00003
Ta -0.051092 0. -0.000002
C -0.926042 2.013817 0.03804
C -0.926193 -0.038035 2.013746
C -0.925977 -2.013844 -0.038007
C -0.926284 0.038017 -2.01371
H -0.601711 2.549055 0.942632
H -2.02408 2.008864 0.024406
H -0.580455 2.587548 -0.834735
H -0.602002 -0.942635 2.549049
H -2.024233 -0.024372 2.008568
H -0.580706 0.834735 2.58754
H -2.024015 -2.008937 -0.024346
H -0.580343 -2.58756 0.834759
H -0.601646 -2.549068 -0.942607
H -0.6021 0.94261 -2.549031
H -2.024324 0.024376 -2.008483
H -0.58084 -0.83476 -2.58752

-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


