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

of-water-complexes

0 1
                6           0       -0.625539    0.320854   -0.001410
                6           0       -1.776278    1.087918   -0.000388
                6           0       -1.931278   -0.257984   -0.000433
                7           0       -2.627223   -1.388237    0.000293
                6           0       -1.383839    3.376151    0.000414
               1           0       -0.756385    3.323055   -0.894372
                1           0       -1.981271    4.288216    0.001511
                1           0       -0.754563    3.322080    0.893863
                6           0       -4.084373   -1.397995    0.001779
               1           0       -4.463151   -1.915002    0.893382
               1           0       -4.454255   -0.370223    0.002461
              1           0       -4.465036   -1.914512   -0.889310
               8           0       -2.341237    2.286641    0.000808
              6           0       -1.928117   -2.670981   -0.000724
               1           0       -0.850685   -2.487202   -0.001816
               1           0       -2.196827   -3.250370    0.891949
               1           0       -2.198721   -3.249996   -0.893078
              46           0        1.367200   -0.016933   -0.000942
              15           0        3.586075   -0.438587    0.001600
               1           0        4.428122    0.056795   -1.030409
               1           0        4.411463   -0.003338    1.073421
               1           0        4.095977   -1.765008   -0.032214

-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

