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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1, 1
 15           0        1.330375    0.011839   -0.008702
 17           0        2.211836    1.728701   -0.692874
 17           0        2.184584   -1.455761   -1.146893
 17           0        2.175158   -0.259686    1.831507
 78           0       -0.933540    0.001957   -0.001592
  9           0       -2.882473   -0.067776    0.048851
  9           0       -0.937400   -0.841737   -1.788105
  9           0       -0.900867    0.854370    1.783186
  9           0       -1.015743    1.781180   -0.845628
  9           0       -0.803108   -1.787765    0.845600

-H -C -N -O -P -B -S -Al -Cl -He -F 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 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 0
sdd





