%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
0 1
I 2.040579 -0.000007 0.000003
Ta -0.685101 0.000002 -0.000001
C -1.568014 -2.005763 0.006903
C -1.568228 -0.006894 -2.005673
C -1.567955 2.005789 -0.006888
C -1.568255 0.006898 2.005644
H -1.228232 -2.562522 -0.878916
H -2.665918 -2.001042 0.004925
H -1.231304 -2.554966 0.898538
H -1.228602 0.878937 -2.562501
H -2.666135 -0.004924 -2.000674
H -1.231656 -0.898521 -2.554968
H -2.665859 2.001118 -0.004865
H -1.23125 2.555007 -0.898514
H -1.228114 2.562501 0.87894
H -1.228563 -0.878906 2.562478
H -2.666162 0.004824 2.000618
H -1.231777 0.898554 2.554947

-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


