%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
S 1.36319267 -0.00025293 0.00020357
Ta -0.87538425 -0.0002787 0.00011407
C -1.70888877 -0.00026569 2.09426798
C -1.70883942 -2.09444938 0.00010375
C -1.70872283 -0.00031084 -2.09410566
C -1.70888633 2.0938741 0.00005896
H -1.38893309 -0.88999862 2.65874471
H -2.8117498 0.00131822 2.07360812
H -1.38639946 0.88829363 2.6591401
H -1.38887772 -2.65892268 -0.88962889
H -2.811701 -2.07378517 0.00167565
H -1.38636364 -2.65932588 0.88866462
H -2.81158546 -0.0019365 -2.07353217
H -1.38615618 -0.88885628 -2.65895588
H -1.38875579 0.8894359 -2.65855375
H -1.38900641 2.65835416 0.8898167
H -2.81174735 2.0731854 -0.0015987
H -1.38635416 2.65875836 -0.88847646

-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


