%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
Si 1.26145895 -0.00926337 0.04536512
C 1.81797195 0.0025391 1.85285629
C 1.88231152 -1.55967698 -0.84785857
C 1.85089861 1.54737548 -0.85819104
H 1.46611978 -0.88606508 2.38980486
H 1.44302052 0.88424069 2.38551293
H 2.91515701 0.01700082 1.90712548
H 2.98079778 -1.55656862 -0.87511876
H 1.52171019 -1.60135163 -1.88230402
H 1.56516915 -2.4785576 -0.34059136
H 2.94922318 1.56527242 -0.88665498
H 1.51659848 2.46305708 -0.35619738
H 1.4885581 1.57568724 -1.89247239
In -1.32737984 -0.0367265 -0.03670964
Cl -2.75647821 -0.04977397 1.81177344
Cl -2.54229818 -0.05326687 -2.03569687

-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


