%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
C 1.133296 -0.001781 0.
C 1.865761 1.203312 0.
C 3.265622 1.208124 0.
C 3.973492 0.002309 0.
C 3.269118 -1.20557 0.
C 1.869282 -1.204782 0.
H 1.340977 2.155943 0.
H 3.802628 2.154756 0.
H 5.061171 0.003877 0.
H 3.80886 -2.150647 0.
H 1.347236 -2.158921 0.
Au -0.919321 -0.005552 0.
P -3.280443 -0.017373 0.
H -3.947246 -1.261724 0.
H -3.967764 0.594261 1.071211
H -3.967764 0.594261 -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


