%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
C -2.268394 -0.004759 -0.000424
O -3.396972 -0.001031 -0.000077
Ta 0.068398 -0.000247 -0.00002
C 0.953104 1.545494 1.235012
C 0.954485 1.236813 -1.543335
C 0.959324 -1.542599 -1.234809
C 0.958654 -1.233911 1.543616
H 0.501346 2.492288 0.896623
H 2.04295 1.645344 1.193231
H 0.653791 1.36739 2.277936
H 0.504575 0.899274 -2.491256
H 2.044538 1.195844 -1.641315
H 0.654228 2.279383 -1.364509
H 2.049522 -1.638373 -1.192657
H 0.65971 -1.365582 -2.277832
H 0.510985 -2.491089 -0.89662
H 0.506938 -0.898156 2.49132
H 2.048485 -1.188612 1.642144
H 0.662625 -2.277662 1.364653

-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


