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

of-water-complexes

2 1
               76           0       -2.008331    0.000143   -0.013146
                8           0       -2.443524    1.460615   -0.778575
                8           0       -2.473117   -0.000006    1.640519
                8           0       -2.443712   -1.460124   -0.778848
                6           0       -0.043309    0.000009   -0.016040
                6           0        1.160246   -0.710291   -0.001659
                6           0        1.160350    0.710135   -0.001657
                6           0        1.785029   -1.960572    0.007515
                6           0        1.785314    1.960325    0.007515
               6           0        0.970764   -3.139553    0.019666
               6           0        3.211408   -2.068563   -0.005142
               6           0        0.971221    3.139423    0.019665
              6           0        3.211709    2.068108   -0.005141
               6           0        1.572034   -4.381918    0.015061
               1           0       -0.111513   -3.048494    0.033454
               6           0        3.796948   -3.318829   -0.007520
               1           0        3.822560   -1.172268   -0.015370
               6           0        1.572672    4.381701    0.015060
               1           0       -0.111070    3.048521    0.033451
              6           0        3.797431    3.318288   -0.007518
               1           0        3.822730    1.171723   -0.015368
               6           0        2.981557   -4.472730    0.002819
               1           0        0.970936   -5.285647    0.025217
               1           0        4.877519   -3.420830   -0.016982
               6           0        2.982208    4.472308    0.002821
               1           0        0.971706    5.285518    0.025216
               1           0        4.878017    3.420132   -0.016977
               1           0        3.450397   -5.453439    0.004510
               1           0        3.451191    5.452949    0.004513

-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

