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

of-water-complexes

2 1
 C                  1.07189600   -0.00298700   -0.01058700
 N                  1.85022300   -1.14216300    0.00632700
 C                  3.14598100   -0.77728300    0.01242000
 C                  3.19224800    0.62574400    0.01022200
 N                  1.92368000    1.08184800    0.00237600
 H                  3.95862200   -1.49453900    0.02034200
 H                  4.05169400    1.28609500    0.01688500
 C                  1.34460800   -2.53881600    0.00624400
 H                  2.20130800   -3.21287300    0.01764600
 H                  0.73730100   -2.70019700    0.90144600
 H                  0.75625400   -2.70561500   -0.90081800
 C                  1.53922200    2.51882200    0.00869500
 H                  1.00448500    2.74441000    0.93398500
 H                  2.45306300    3.11096500   -0.04380000
 H                  0.91901500    2.72894000   -0.86599100
 Os                -0.93601600    0.01949600   -0.00669100
 O                 -1.43884200   -0.32148600    1.58675300
 O                 -1.37474900   -1.24693200   -1.05704300
 O                 -1.32711100    1.59722300   -0.50396300

-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


