%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym  

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
H 0.800028 -0.09994 0.418958
H 0.79914 -0.091298 -0.395658
Ir -0.999339 0.018325 0.014537
C -2.871673 0.136972 0.016046
P -0.814396 2.371079 0.032662
P -1.112831 -2.339061 -0.003511
O -4.015729 0.209464 0.016722
H -2.0078 3.113557 0.053672
H -0.11812 2.937609 1.118375
H -0.144426 2.956993 -1.059318
H -2.39035 -2.924839 -0.03058
H -0.488316 -2.989559 -1.085783
H -0.527655 -3.004338 1.09174

-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


