%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 0.46360196 0.10229235 0.07538663
C 1.0933525 1.37039398 -0.14021304
C 2.46045191 1.4402682 -0.20249724
C 3.25039799 0.26018854 -0.049661
C 2.62702926 -0.99834602 0.18891077
C 1.25453671 -1.07575859 0.25276848
H 0.49768118 2.27112605 -0.24922622
H 2.97267171 2.38487813 -0.35521491
O 4.5495104 0.44390668 -0.12807076
H 3.21987043 -1.89351036 0.33531766
H 0.77830919 -2.03237065 0.4432316
C 5.48789712 -0.65409153 0.01045081
H 5.31100204 -1.39716105 -0.77255582
H 6.46843731 -0.19847637 -0.1142991
H 5.39851438 -1.09683883 1.00677402
Os -1.49932838 -0.04326144 -0.00808103
O -2.06364432 1.44888481 0.60616618
O -1.91298436 -0.20303203 -1.67028315
O -1.85672703 -1.46595188 0.86600214

-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


