%chk=pph3pdhph32-corr2-g09.chk
%mem=3200MB
%nprocshared=4
#p b3lyp/genecp opt=(calcfc,verytight,maxstep=5) freq 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=500,conver=8,nosym)

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
               46           0       -0.802328   -1.880745   -0.596459
               15           0        1.104012   -3.192609   -0.556604
                1           0        1.490894   -3.781675   -1.775637
                1           0        2.323394   -2.618708   -0.141706
                1           0        1.055765   -4.333644    0.266180
               15           0       -3.006018   -1.149910   -0.695206
                1           0       -3.720599   -1.383788   -1.885638
                1           0       -3.878939   -1.736424    0.240209
               1           0       -3.291682    0.213883   -0.482262
               1           0       -1.462938   -3.271759   -0.991837
              15           0        0.143139    0.258395    0.043875
               6           0        1.830259    0.189575    0.763489
               6           0       -0.934546    1.015350    1.323699
               6           0        0.278291    1.458546   -1.328767
               6           0        2.053114    0.207982    2.148247
               6           0        2.922564    0.025200   -0.108272
               6           0       -1.307232    2.367727    1.306296
               6           0       -1.430163    0.178284    2.341379
               6           0        1.040029    2.633041   -1.188110
               6           0       -0.393412    1.215521   -2.537414
               6           0        3.350190    0.064287    2.652305
               1           0        1.226123    0.348324    2.837512
               6           0        4.215569   -0.112960    0.399854
               1           0        2.768003    0.026233   -1.185037
               6           0       -2.153773    2.874945    2.297550
               1           0       -0.949632    3.026778    0.521938
               6           0       -2.266903    0.690690    3.334346
               1           0       -1.161708   -0.876406    2.359974
               6           0        1.107858    3.554585   -2.233611
               1           0        1.584577    2.822552   -0.266959
               6           0       -0.322460    2.139880   -3.583305
               1           0       -0.958692    0.296943   -2.673266
               6           0        4.431685   -0.096683    1.782504
               1           0        3.512949    0.088879    3.726208
               1           0        5.053103   -0.225836   -0.283112
               6           0       -2.630909    2.041763    3.312813
               1           0       -2.439554    3.922819    2.273074
               1           0       -2.636061    0.037137    4.119937
              6           0        0.424160    3.311158   -3.430614
               1           0        1.697376    4.459511   -2.116063
               1           0       -0.841582    1.940653   -4.516584
               1           0        5.438146   -0.201869    2.177377
              1           0       -3.286615    2.440492    4.081659
              1           0        0.481857    4.028722   -4.244174

-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

