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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
Si 1.620279 0.017877 0.013065
C 2.215132 0.209004 -1.774122
C 2.274308 1.453886 1.055487
C 2.25242 -1.623988 0.713188
H 2.044968 1.209901 -2.189317
H 1.804463 -0.532117 -2.47142
H 3.303789 0.060684 -1.780849
H 3.367504 1.477735 0.945574
H 2.083779 1.342582 2.131033
H 1.91462 2.43841 0.729818
H 3.345726 -1.633341 0.603727
H 1.891463 -2.517168 0.186305
H 2.052276 -1.751273 1.783821
Co -0.776626 -0.00184 0.00811
N -0.739351 1.408242 -1.447311
N -3.082409 -0.056166 -0.141329
N -0.793127 -1.361936 1.507966
N -0.948474 1.466759 1.398087
N -0.69834 -1.50944 -1.344925
H -0.32578 1.099736 -2.330468
H -1.673341 1.753847 -1.687361
H -0.196293 2.239621 -1.198675
H -3.538331 -0.855465 0.306182
H -3.546095 0.758706 0.2684
H -3.421877 -0.084055 -1.106257
H -0.273867 -1.061259 2.336673
H -1.736342 -1.579717 1.842153
H -0.373685 -2.263278 1.266541
H -0.065172 1.731073 1.841836
H -1.331202 2.342294 1.030314
H -1.577195 1.212152 2.165132
H 0.063135 -2.177901 -1.199747
H -1.556821 -2.067923 -1.33301
H -0.589986 -1.209474 -2.317001

-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


