%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:
        
1 1
Ir -0.000024 -0.238857 -0.000008
C 0.000119 1.564731 0.000002
P 2.357425 -0.344811 0.000017
P -2.357466 -0.344661 0.000017
O 0.000235 2.718506 0.
H 3.035722 0.226404 1.092675
H 2.878647 -1.65512 -0.000488
H 3.035776 0.227245 -1.092164
H -3.035718 0.226735 1.09261
H -3.035763 0.227328 -1.092233
H -2.878815 -1.65492 -0.000342

-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


