%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 1.488397 -0.02108 0.006847
Cl 2.288655 1.78459 -0.152063
Cl 2.119513 -1.160663 -1.50564
Cl 2.082648 -0.850049 1.727555
Rh -0.864195 0.023345 -0.00583
O -3.100336 0.004469 -0.004776
O -0.95922 0.462458 2.024468
O -0.799015 -2.040055 0.249238
O -0.887527 2.080925 -0.280072
O -1.002691 -0.399484 -2.039487
H -3.698656 0.77808 -0.04543
H -3.675925 -0.783971 0.066861
H -1.847263 0.437886 2.442726
H -0.304221 0.165318 2.692611
H -1.113173 -2.510841 1.049178
H -0.925887 -2.624769 -0.528304
H -0.930756 2.679122 0.495919
H -1.285674 2.535625 -1.051208
H -0.323181 -0.195147 -2.717017
H -1.885986 -0.298988 -2.456155

-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


