%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 -0.003599 1.322393 0.
C -1.20863 2.054961 0.
C -1.213324 3.454822 0.
C -0.00745 4.16259 0.
C 1.20037 3.458115 0.
C 1.199465 2.058279 0.
H -2.161305 1.530256 0.
H -2.159911 3.991908 0.
H -0.008926 5.250269 0.
H 2.145492 3.997778 0.
H 2.153559 1.536153 0.
Au 0. -0.730223 0.
P 0.011622 -3.091346 0.
H 1.255917 -3.758254 0.
H -0.600069 -3.778616 1.071211
H -0.600069 -3.778616 -1.071211

-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


