%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:
        
0 1
C -0.008724 -2.226518 -0.035643
H 0.913098 -2.706942 0.324704
H -0.822596 -2.682082 0.548469
H -0.143687 -2.545884 -1.081345
Ir 0.000757 -0.046386 0.004049
C 0.004863 1.845859 -0.011023
P 2.284567 -0.273043 0.009439
P -2.2874 -0.262097 0.008975
O 0.00913 3.009928 -0.026499
H 3.155863 0.829254 -0.142949
H 2.872451 -0.8523 1.158163
H 2.845339 -1.13234 -0.962796
H -3.15013 0.831937 -0.22724
H -2.846542 -1.184877 -0.904234
H -2.889438 -0.753441 1.191225

-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


