%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
O 0.839448 -0.000256 0.000197
Ta -0.933482 -0.000283 0.000122
C -1.710286 -0.000354 2.139792
C -1.710268 -2.13996 0.000026
C -1.710108 -0.000211 -2.139616
C -1.710323 2.139373 0.00013
H -1.375761 -0.889488 2.69874
H -2.813692 0.000412 2.158948
H -1.375037 0.888408 2.698909
H -1.375728 -2.69894 -0.889082
H -2.813676 -2.159091 0.000751
H -1.375071 -2.699065 0.888815
H -2.813512 -0.00093 -2.158857
H -1.374852 -0.888997 -2.69869
H -1.375506 0.8889 -2.698556
H -1.375908 2.698368 0.889276
H -2.813731 2.15847 -0.000734
H -1.375031 2.698481 -0.888623

-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


