%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
B 1.0868601 0.14700971 -0.15678487
O 1.95602162 -0.63993006 0.55963632
C 3.28478302 -0.15448191 0.3024687
C 3.12445179 0.7772148 -0.92091254
O 1.7139896 1.04987189 -0.98113511
H 3.94658722 -1.00573051 0.11159036
H 3.63790186 0.38332774 1.19161022
H 3.66795386 1.72208237 -0.81660255
H 3.42597661 0.29033698 -1.85714949
Au -0.94908793 -0.01047944 -0.01012646
Cl -3.43186368 -0.20191011 0.16903834
Cl -0.69085886 1.59002541 1.72654093
Cl -0.70065082 -1.57202305 -1.78327512

-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


