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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
Cl 1.456816 -0.000267 0.000194
Ta -0.875639 -0.000276 0.000113
C -1.750638 0.000106 2.014268
C -1.750757 -2.014376 0.000471
C -1.750475 -0.00068 -2.014111
C -1.750813 2.013799 -0.000306
H -1.426329 -0.894116 2.56667
H -2.848676 0.013652 2.009028
H -1.405057 0.883662 2.571257
H -1.426549 -2.566838 -0.893746
H -2.848797 -2.008928 0.014007
H -1.405297 -2.571422 0.884035
H -2.848513 -0.014236 -2.008971
H -1.404835 -0.884234 -2.571068
H -1.426122 0.893544 -2.566483
H -1.426647 2.566272 0.89392
H -2.848853 2.008321 -0.013871
H -1.405344 2.570854 -0.883859

-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


