%mem=10000mb
%nproc=12
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

imcn2nme2_aq

0 1
 N	 3.047556000	 6.367933000	 10.202079000
 N	 1.833308000	 5.255143000	 8.839299000
 C	 2.625842000	 5.093915000	 9.941320000
 C	 3.935159000	 6.715766000	 11.309763000
 C	 2.540419000	 7.297430000	 9.299221000
 C	 1.757697000	 6.580184000	 8.420615000
 C	 1.140195000	 4.154533000	 8.172873000
 H	 4.166446000	 5.792949000	 11.841095000
 H	 1.382541000	 3.242410000	 8.717599000
 H	 4.855498000	 7.167997000	 10.928433000
 H	 3.439371000	 7.420615000	 11.983817000
 H	 0.059436000	 4.323706000	 8.189631000
 H	 1.475980000	 4.070188000	 7.135039000
 C	 1.005289000	 7.017809000	 7.305792000
 C	 2.821617000	 8.682890000	 9.345007000
 N	 0.373265000	 7.336224000	 6.380794000
 N	 3.078403000	 9.816539000	 9.418130000

-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


