%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:
        
2 1
C 1.714882 -0.938468 -0.790346
H 1.395043 -1.820433 -1.354452
H 2.241964 -0.233751 -1.441125
H 2.371546 -1.250649 0.029867
Rh 0.063467 -0.023772 -0.012624
O -1.952126 0.940648 0.727611
O 1.265328 1.01218 1.346199
O -0.280507 -1.624541 1.276868
O 0.262434 1.665811 -1.222232
O -1.22132 -1.008145 -1.323096
H -2.255335 1.836325 0.490896
H -2.471196 0.679151 1.510164
H 0.888839 1.210249 2.226536
H 2.198823 0.753707 1.478665
H 0.482319 -2.148122 1.592417
H -0.933055 -2.269842 0.936055
H 0.790867 2.385413 -0.82126
H 0.570852 1.574694 -2.145092
H -0.930053 -1.338457 -2.195516
H -2.086412 -0.565364 -1.439778

-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


