%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:
        
3 1
O -1.080413 1.486038 -0.900439
H -1.588053 1.314071 -1.72603
H -0.743699 2.410622 -0.922993
Rh 0.007018 -0.010478 0.00818
O 1.086281 -1.525107 0.928798
O -1.552026 -0.070296 1.366959
O 1.042861 1.491536 0.979725
O -1.125894 -1.340535 -1.092127
O 1.55738 0.05318 -1.36139
H 0.728243 -2.43263 1.05088
H 1.708372 -1.349376 1.669575
H -1.465625 -0.391861 2.291997
H -2.208653 0.663663 1.35894
H 0.895906 1.780048 1.907352
H 1.967379 1.707737 0.722468
H -1.939807 -1.725209 -0.693871
H -0.753937 -1.992958 -1.726662
H 1.458004 0.419553 -2.268641
H 2.20056 -0.690677 -1.40332

-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


