%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
C 2.26777822 0.00120697 0.00009984
O 3.39634899 -0.00428917 -0.00077982
Ta -0.06901777 0.00044489 0.00007806
C -0.95634301 -1.79503312 0.82847151
C -0.95693782 -0.8288358 -1.79468637
C -0.95732833 1.79539754 -0.8283851
C -0.95744439 0.82917592 1.79484737
H -0.50607623 -2.6337152 0.27269891
H -2.04634384 -1.88021188 0.76426813
H -0.65685167 -1.8728056 1.88358081
H -0.50638501 -0.27446258 -2.63407886
H -2.04691278 -0.76382497 -1.87966489
H -0.65838014 -1.88433722 -1.87128273
H -2.04737494 1.87999541 -0.76417597
H -0.65789184 1.87329614 -1.88350117
H -0.50749618 2.63434331 -0.27265652
H -0.50636882 0.27515334 2.63419897
H -2.04735731 0.76329568 1.8799428
H -0.65971513 1.88490835 1.87142301

-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


