%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
P 2.193789 0.000851 0.036458
H 2.712587 0.014334 1.344269
H 2.705894 1.122173 -0.642287
H 2.707147 -1.133688 -0.619
Rh -0.161199 -0.000134 0.016765
O -2.373696 -0.000583 -0.066728
O -0.262313 -2.075928 -0.093517
O -0.035024 -0.000843 -2.052497
O -0.189771 0.000896 2.101333
O -0.264933 2.075484 -0.095048
H -2.995096 -0.002239 0.690207
H -2.923307 -0.00037 -0.877524
H -1.15581 -2.482344 -0.054494
H 0.378918 -2.734337 0.24949
H -0.213059 -0.801729 -2.590846
H -0.215577 0.799348 -2.591018
H -0.434352 -0.790217 2.627083
H -0.433595 0.793306 2.625482
H 0.377795 2.735514 0.241953
H -1.158544 2.481293 -0.052942

-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


