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

of-water-

0 1
 C                 -1.02408300   -0.00016000    0.00292800
 N                 -1.83247900    1.08252600    0.10112200
 C                 -3.25290700    0.76157000   -0.09310400
 C                 -3.25332800   -0.76284000    0.08220600
 N                 -1.83120600   -1.08321100   -0.10031100
 H                 -3.57257900    1.06396700   -1.10252200
 H                 -3.58116600   -1.06551800    1.08890500
 H                 -3.88034400    1.28419500    0.63681900
 H                 -3.87448700   -1.28568600   -0.65292300
 C                 -1.38884600   -2.45927500   -0.00299300
 H                 -0.30716300   -2.48839100   -0.15139100
 H                 -1.62656600   -2.87943600    0.98592100
 H                 -1.88223400   -3.06841100   -0.77087900
 C                 -1.38960400    2.45854400    0.00532200
 H                 -1.61666500    2.87643700   -0.98704500
 H                 -1.89148900    3.06912700    0.76650500
 H                 -0.30958400    2.48846700    0.16529700
 Pd                 1.05118500    0.00107100    0.00384600
 P                  3.30422400   -0.00074400   -0.00688300
 H                  4.04050900   -0.30596400    1.16952100
 H                  4.03448800   -0.87395200   -0.85756100
 H                  4.04782000    1.16484400   -0.33616100

-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


