%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
O 1.452401 0.000042 -1.316257
H 1.180035 0.22152 -2.226405
Rh 0.013413 -0.005606 -0.003982
O -1.538305 -0.126111 1.5401
O -1.071193 -1.468265 -1.004054
O -1.251365 1.390548 -0.877659
O 1.360474 -1.292802 0.901136
O 1.087524 1.591596 0.733232
H -2.255262 0.537132 1.503568
H -1.383652 -0.317753 2.484691
H -1.748563 -1.974483 -0.51118
H -0.58316 -2.087548 -1.583746
H -1.6744 1.167835 -1.731922
H -0.912624 2.307488 -0.940711
H 1.102981 -2.160686 1.270486
H 2.086495 -1.441711 0.252322
H 1.901216 1.639629 0.178287
H 1.367047 1.600792 1.671809

-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


