%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       -1.045123    0.000000    0.000000
                6           0       -2.252188   -0.686773    0.025720
                6           0       -2.252189    0.686773   -0.025720
                7           0       -2.842208   -1.883881    0.100957
               7           0       -2.842211    1.883880   -0.100958
                6           0       -2.010680   -3.087990    0.022014
                1           0       -0.972638   -2.827824    0.232484
                1           0       -2.361110   -3.817281    0.762708
                1           0       -2.067955   -3.531125   -0.981656
               6           0       -4.270404   -2.049092   -0.096936
               1           0       -4.784401   -1.102290    0.083614
               1           0       -4.498181   -2.387140   -1.120473
               1           0       -4.659764   -2.796013    0.606644
               6           0       -4.270407    2.049088    0.096936
               1           0       -4.659769    2.796008   -0.606643
               1           0       -4.784402    1.102285   -0.083614
               1           0       -4.498184    2.387135    1.120473
               6           0       -2.010686    3.087990   -0.022015
               1           0       -2.067961    3.531125    0.981656
               1           0       -0.972643    2.827828   -0.232485
               1           0       -2.361118    3.817282   -0.762708
              40           0        1.332874    0.000000    0.000000
              17           0        3.794793    0.000000    0.000000
              17           0        1.019923   -1.683771    1.835747
              17           0        1.019924    1.683772   -1.835747
              17           0        1.018979    1.842726    1.673232
              17           0        1.018978   -1.842725   -1.673232

-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


