%chk=aq-nmecb3lyp.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
 C                  0.00000100   -0.98576100   -0.00000100
 N                 -1.06470100   -0.12440500    0.00023800
 C                 -0.67976500    1.21288600    0.00032600
 C                  0.67976600    1.21288600   -0.00029000
 N                  1.06470000   -0.12440500   -0.00034600
 H                 -1.38629000    2.03058100    0.00056900
 H                  1.38629000    2.03058100   -0.00057500
 C                 -2.44989900   -0.56841300   -0.00013700
 H                 -2.97265700   -0.20324300    0.89138900
 H                 -2.97118300   -0.20679000   -0.89398400
 H                 -2.44988600   -1.65926800    0.00199200
 C                  2.44989900   -0.56841300    0.00019000
 H                  2.97313200   -0.20200700   -0.89054600
 H                  2.97070400   -0.20803000    0.89481900
 H                  2.44988800   -1.65926400   -0.00342900

-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

