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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
C -0.00022087 1.4340812 0.00018972
C -1.18124075 2.13714555 -0.26029957
C -1.18090496 3.53766095 -0.2521489
C -0.00014297 4.24349602 -0.0010712
C 1.1805716 3.53782076 0.25066423
C 1.18082644 2.13731116 0.26007678
H -2.0955094 1.59941823 -0.49039084
H -2.10665415 4.07403137 -0.45362541
H -0.00011235 5.33178386 -0.00155934
H 2.10635091 4.07431718 0.451666
H 2.0950618 1.59973657 0.49066092
Au -0.00030379 -0.62328258 0.00117542
Cl -0.00040692 -3.0687057 0.00238723
Cl 0.87358035 -0.55645478 2.20216531
Cl -0.87414495 -0.55852178 -2.19989036

-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


