%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       -1.426101    0.000028   -0.007582
                8           0       -1.874805   -1.455715   -0.770720
                8           0       -1.874745    1.456048   -0.770188
                8           0       -1.907390   -0.000338    1.636582
                6           0        0.535087    0.000012   -0.034202
                6           0        1.747738    0.717105   -0.012261
                6           0        1.747728   -0.717113   -0.012150
                7           0        2.330276    1.872178    0.001832
                7           0        2.330162   -1.872236    0.001790
               6           0        1.523731    3.115976   -0.017123
               6           0        3.799912    2.038520    0.025269
               6           0        3.799804   -2.038706    0.025053
              6           0        1.523520   -3.115978   -0.016992
               1           0        0.461487    2.876361    0.036700
               1           0        1.817387    3.733713    0.836470 
               1           0        1.735993    3.653836   -0.946773
               1           0        4.290716    1.067290    0.005946
               1           0        4.096748    2.626066   -0.848795
               1           0        4.073703    2.579241    0.936579
               1           0        4.096379   -2.626866   -0.848688
               1           0        4.290690   -1.067535    0.004868
               1           0        4.073734   -2.578837    0.936667
               1           0        1.817563   -3.733887    0.836341
               1           0        0.461320   -2.876298    0.037436
               1           0        1.735274   -3.653678   -0.946848

-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


