%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
S 0.001637 -2.260429 0.000083
Ir -0.000068 0.125985 0.000017
C -0.001326 1.98569 0.000114
P 2.257041 -0.275473 -0.000091
P -2.256828 -0.278451 -0.00009
O -0.002189 3.167755 0.000021
H 3.219807 0.789397 -0.000156
H 2.801862 -1.01207 1.072367
H 2.801765 -1.012041 -1.072602
H -3.221109 0.785152 0.
H -2.800461 -1.015695 -1.072668
H -2.800522 -1.016 1.072259

-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


