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

imncn2nme2b3lyp_aq

0 1
 N	 3.189781000	 6.402217000	 10.092640000
 N	 1.728737000	 5.278199000	 8.977364000
 C	 2.677073000	 5.136324000	 9.959052000
 C	 4.214950000	 6.722760000	 11.091484000
 C	 2.587398000	 7.291743000	 9.229295000
 C	 1.654068000	 6.576957000	 8.522228000
 C	 0.957665000	 4.137093000	 8.472641000
 H	 4.355455000	 5.820100000	 11.685523000
 H	 1.369530000	 3.252015000	 8.956817000
 H	 5.144411000	 7.010199000	 10.598081000
 H	 3.878569000	 7.544594000	 11.728548000
 H	-0.098086000	 4.257512000	 8.719281000
 H	 1.065395000	 4.057803000	 7.387954000
 N	 0.782503000	 7.016145000	 7.460219000
 O	 1.209822000	 7.880807000	 6.700693000
 O	-0.320390000	 6.466213000	 7.388563000
 N	 2.886694000	 8.701762000	 9.177462000
 O	 1.954455000	 9.468740000	 8.954378000
 O	 4.059844000	 9.024761000	 9.385659000

-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


