%mem=3200MB
%nprocshared=4
#p freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
              15           0        0.104669    0.000341    0.000239
                6           0        0.897400   -1.192773   -1.166644
                6           0        2.072668   -1.899530   -0.869015
                6           0        0.288114   -1.379222   -2.418840
                6           0        2.631813   -2.770140   -1.810325
                1           0        2.552010   -1.777163    0.098009
                6           0        0.853770   -2.239304   -3.362162
                1           0       -0.636807   -0.853485   -2.645648
                6           0        2.027439   -2.938515   -3.059377
              1           0        3.539737   -3.315960   -1.565153
               1           0        0.372778   -2.372240   -4.328062
               1           0        2.463160   -3.615885   -3.789633
               6           0        0.899628   -0.413168    1.615805
               6           0        2.073677    0.200756    2.078223
               6           0        0.294145   -1.407159    2.402596
               6           0        2.635712   -0.179239    3.301387
               1           0        2.549862    0.978820    1.488692
               6           0        0.862625   -1.794247    3.617685
               1           0       -0.629563   -1.868983    2.060769
               6           0        2.035218   -1.179639    4.071073
               1           0        3.542816    0.307968    3.650905
               1           0        0.384781   -2.566655    4.215193
               1           0        2.473162   -1.473614    5.021735
               6           0        0.896895    1.607346   -0.450425
               6           0        2.070077    1.703013   -1.214534
               6           0        0.289396    2.784837    0.016825
               6           0        2.628937    2.953414   -1.498390
               1           0        2.547951    0.804387   -1.593861
               6           0        0.854831    4.031795   -0.256885
               1           0       -0.633860    2.718436    0.588310
               6           0        2.026368    4.119216   -1.017180
               1           0        3.535415    3.014072   -2.095858
               1           0        0.375280    4.934676    0.113026
               1           0        2.461892    5.090283   -1.239192
              46           0       -2.208692   -0.000744    0.001781
              15           0       -4.484224   -0.001105    0.003087
               1           0       -5.212839   -0.910736   -0.806271
               1           0       -5.212008   -0.247579    1.195957
               1           0       -5.212883    1.154716   -0.379639
 
-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

