%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
N -1.101486 -0.970253 0.24479
C -2.197757 -0.426627 0.122402
S -3.650885 0.147471 -0.004168
Rh 0.644855 -0.02953 0.003288
O 2.622184 0.985563 -0.133931
O 0.80927 -1.15735 -1.732854
O 1.355753 -1.660943 1.095551
O -0.039767 1.524664 -1.191296
O 0.276152 1.221193 1.62344
H 2.70199 1.743793 -0.74448
H 3.500782 0.56237 -0.098734
H 1.655827 -1.609836 -1.923821
H 0.103517 -1.8401 -1.758347
H 0.588646 -2.222843 1.344839
H 1.919929 -1.561002 1.887488
H -0.337839 1.269074 -2.088392
H -0.735269 2.096336 -0.806067
H -0.326195 0.902329 2.325025
H 1.032494 1.675729 2.045997

-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


