%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
O 0.000111 -2.04453 -0.034505
Ir 0.000009 -0.134162 -0.004081
C -0.00007 1.745965 -0.005761
P -2.293899 -0.196403 0.019674
P 2.293888 -0.196279 0.019652
O -0.000123 2.936818 -0.016921
H -3.062551 0.445049 -0.993618
H -2.891907 -1.482599 -0.032023
H -3.035792 0.340631 1.110719
H 3.062571 0.4477 -0.991993
H 3.035649 0.338145 1.112085
H 2.891983 -1.482318 -0.034846

-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


