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

of-water-complexes

0 1
               46           0       -1.605897    0.000792    0.002701
               15           0       -3.858934    0.000125   -0.005656
                1           0       -4.594951   -0.336774    1.163213
                1           0       -4.608475    1.172248   -0.300546
                1           0       -4.595742   -0.849303   -0.876019
                6           0        0.421753   -0.000010    0.002780
                6           0        1.643816    0.682556    0.030170
                6           0        1.643291   -0.683156   -0.029778
                7           0        2.233824    1.883849    0.112574
               7           0        2.232461   -1.884789   -0.115052
               6           0        1.395160    3.074981    0.003226
               6           0        3.665994    2.054753   -0.069810
               6           0        3.665032   -2.056051    0.064034
               6           0        1.393491   -3.075268   -0.000622
               1           0        0.353188    2.790520    0.168523 
               1           0        1.696468    3.812793    0.756391
               1           0        1.486184    3.529509   -0.994265
               1           0        4.182116    1.121839    0.167118
               1           0        3.910648    2.345253   -1.103359
               1           0        4.034943    2.835782    0.605664
               1           0        4.031175   -2.840430   -0.609026
              1           0        4.181270   -1.124697   -0.178795
               1           0        3.912665   -2.342077    1.098144
              1           0        1.485771   -3.526874    0.998110
               1           0        0.351364   -2.790926   -0.165199
               1           0        1.693416   -3.815398   -0.752025

-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


