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

of-water-complexes

1 1
               6           0       -1.034088    0.682239   -0.000017
                6           0       -1.031263   -0.685885   -0.000044
                6           0        0.184437    0.000705   -0.000001
                6           0       -1.681038   -1.967455   -0.000037
                6           0       -0.885800   -3.131700   -0.000034
                6           0       -3.085550   -2.075671   -0.000024
                6           0       -1.490232   -4.385882   -0.000013
                1           0        0.196922   -3.035623   -0.000041
                6           0       -3.684188   -3.333198   -0.000005
               1           0       -3.695723   -1.177480   -0.000028
               6           0       -2.887910   -4.485709    0.000001
               1           0       -0.880487   -5.284571   -0.000006
               1           0       -4.766652   -3.419600    0.000008
               1           0       -3.358263   -5.465023    0.000019
              6           0       -1.689177    1.961110    0.000015
               6           0       -0.898804    3.128656    0.000073
               6           0       -3.094130    2.063443   -0.000014
               6           0       -1.508477    4.380301    0.000104
               1           0        0.184309    3.037106    0.000086
              6           0       -3.698024    3.318452    0.000020
               1           0       -3.700510    1.162693   -0.000064
               6           0       -2.906563    4.474274    0.000080
               1           0       -0.902503    5.281534    0.000145
               1           0       -4.780839    3.400347   -0.000003
               1           0       -3.381014    5.451611    0.000102
              46           0        2.250832    0.004312   -0.000005
              15           0        2.591348    0.004886    2.287615
              15           0        2.591262    0.005103   -2.287647
               1           0        3.330116   -1.072684    2.812080
               1           0        3.326591    1.084912    2.811982
               1           0        1.495836    0.003128    3.175569
               1           0        3.325492    1.085817   -2.812025
             1           0        3.330991   -1.071778   -2.812164
               1           0        1.495708    0.002361   -3.175546
              1           0        3.847446    0.007000   -0.000025

-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

