%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym  

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
H 1.034669 -0.376763 0.100903
H 1.029997 0.383932 -0.102554
Au -0.858874 -0.006742 -0.000468
P -3.161778 -0.018245 0.001037
H -3.730737 -1.301178 -0.02245
H -3.745434 0.59712 1.119371
H -3.743741 0.636342 -1.095839

-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


