%mem=6400mb
%nproc=4
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

of-water-complexes

1 1
              49           0       -2.173357   -0.000004   -0.000025
               17           0       -3.141341   -2.056042    0.000107
               17           0       -3.141344    2.056032   -0.000039
                6           0       -0.038732   -0.000001   -0.000011
               6           0        1.156875   -0.696741   -0.000007
                6           0        1.156872    0.696745   -0.000002
                6           0        1.799651   -1.967083   -0.000003
                6           0        1.799643    1.967089    0.000001
                6           0        1.002864   -3.135955   -0.000138
               6           0        3.208678   -2.066414    0.000143
               6           0        1.002851    3.135958    0.000126
               6           0        3.208669    2.066426   -0.000129
               6           0        1.614444   -4.383817   -0.000142
              1           0       -0.081104   -3.053053   -0.000251
               6           0        3.810209   -3.319760    0.000151
              1           0        3.814796   -1.165817    0.000253
               6           0        1.614426    4.383823    0.000137
              1           0       -0.081116    3.053051    0.000227
               6           0        3.810196    3.319774   -0.000131
               1           0        3.814792    1.165831   -0.000233
               6           0        3.014268   -4.474122    0.000007
               1           0        1.010211   -5.285682   -0.000258
               1           0        4.892444   -3.404588    0.000268
               6           0        3.014250    4.474133    0.000004
               1           0        1.010189    5.285685    0.000246
               1           0        4.892430    3.404607   -0.000236
               1           0        3.488271   -5.451637    0.000008
               1           0        3.488249    5.451651    0.000008

-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

