%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
P 1.509758 0.03369 -0.058777
Cl 2.487552 1.820328 0.14867
Cl 2.220051 -0.691329 -1.830745
Cl 2.411004 -1.148486 1.34983
Ir -0.832722 0.01158 0.02434
C -2.739421 -0.060841 -0.032356
P -0.974178 2.358546 0.039653
P -0.796843 -2.349961 0.075899
O -3.883466 -0.10837 -0.088828
H -2.263843 2.9175 0.005619
H -0.41818 3.00998 1.15693
H -0.347511 3.047673 -1.015934
H -1.96008 -3.01015 -0.358414
H 0.189104 -3.00783 -0.683783
H -0.601271 -2.935787 1.3414

-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


