%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
 54      -2.257242      -0.001168      -0.009902
 44       0.742739      -0.001818       0.002379
 16       0.622033       2.076533       0.821141
 16       3.081677       0.090804      -0.015110
 16       0.667426      -0.337195      -2.187472
 16       0.627275      -1.747428       1.387621
 1       1.924165       2.409012       1.016784
 1       3.394131      -1.215604       0.164615
 1       1.989739      -0.341725      -2.510134
 1       1.927943      -2.032057       1.659887

-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


