%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
Cl -0.001752 -2.332309 -0.000047
Ir 0.000074 0.091367 0.000001
C 0.001466 1.930811 -0.000028
P 2.314554 -0.090775 0.000033
P -2.314749 -0.087524 0.000036
O 0.002389 3.095792 -0.000055
H 3.134407 1.058298 -0.000261
H 2.88382 -0.797643 1.078977
H 2.883824 -0.798184 -1.078549
H -3.133047 1.062647 0.000405
H -2.885033 -0.793575 -1.078905
H -2.884881 -0.794231 1.078626

-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


