%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
H 0.000048 0.000012 -2.079437
Ta 0.000001 0.000001 -0.273037
C -2.022343 -0.016603 0.578606
C -0.016609 2.022257 0.578822
C 2.022301 0.016593 0.578706
C 0.016535 -2.02226 0.578809
H -2.562871 0.89429 0.279662
H -2.067019 -0.093061 1.672966
H -2.562831 -0.881989 0.160891
H 0.89432 2.56282 0.280058
H -0.093147 2.066707 1.673188
H -0.881952 2.562855 0.161164
H 2.066932 0.093003 1.673072
H 2.562802 0.881999 0.16105
H 2.562844 -0.894286 0.279744
H -0.89435 -2.562819 0.279894
H 0.092878 -2.066706 1.67319
H 0.881943 -2.562869 0.161305

-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


