%chk=aq-nhc-2-b3lyp-2.chk
%mem=6400MB
%nproc=4
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
pop=(NBO,saveNBOs) scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

of-water-ligands

0 1
                6           0       -0.000189   -1.334427   -0.000025
                7           0       -1.064220   -0.506466   -0.090054
                6           0       -0.765913    0.932787    0.087195
                6           0        0.766170    0.932583   -0.087269
                7           0        1.064100   -0.506717    0.090243
                1           0       -1.062165    1.271147    1.089585
                1           0        1.062770    1.270732   -1.089607
                1           0       -2.004902   -0.864229   -0.022622
                1           0        2.004611   -0.864767    0.021902
               1           0       -1.279599    1.546969   -0.658329
               1           0        1.279714    1.546774    0.658347

-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


