%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
Si 1.04191968 0.00153435 0.02434527
C 1.67307699 -0.10708429 1.82044052
C 1.74992391 -1.48737202 -0.93388183
C 1.75974337 1.58887242 -0.75077254
H 1.30086954 -1.02177839 2.29824784
H 1.30259684 0.74526067 2.4032239
H 2.77310597 -0.11084083 1.86450921
H 2.85046743 -1.49994593 -0.90771485
H 1.42523005 -1.45238568 -1.98108725
H 1.37921273 -2.42579849 -0.5032965
H 2.86037123 1.59063463 -0.72516266
H 1.39595945 2.47152796 -0.21050173
H 1.43390211 1.68156544 -1.79419091
Cr -1.35991212 0.01541339 -0.04987296
O -1.63924426 -1.4069794 0.6465762
O -1.6256414 1.34003622 0.82263828
O -1.55552101 0.11842338 -1.64285698

-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


