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

imnme2nme2b3lyp_aq

0 1
 N	 1.250901000	 1.434800000	 0.005327000
 N	-0.885720000	 1.428248000	 0.063570000
 C	 0.178893000	 2.276467000	 0.133788000
 C	 2.634104000	 1.890427000	 0.010019000
 C	 0.870908000	 0.095905000	-0.142223000
 C	-0.499433000	 0.080206000	-0.098107000
 C	-2.269226000	 1.883838000	 0.104369000
 H	 2.635100000	 2.968804000	-0.155118000
 H	-2.733057000	 1.819282000	-0.885450000
 H	 3.120866000	 1.674952000	 0.967596000
 H	 3.191451000	 1.389672000	-0.785983000
 H	-2.850305000	 1.280591000	 0.806754000
 H	-2.272071000	 2.923963000	 0.434115000
 C	-2.308492000	-1.100967000	-1.255579000
 H	-3.233814000	-0.528005000	-1.074719000
 H	-1.839170000	-0.725614000	-2.169484000
 H	-2.590414000	-2.148824000	-1.417250000
 N	-1.354282000	-1.027328000	-0.151257000
 C	-1.872677000	-1.521716000	 1.123637000
 H	-2.724535000	-0.932528000	 1.507136000
 H	-2.211193000	-2.557477000	 0.996549000
 H	-1.074938000	-1.507308000	 1.871312000
 N	 1.824452000	-0.915795000	-0.326168000
 C	 1.428754000	-2.009519000	-1.217717000
 C	 2.440398000	-1.401235000	 0.915719000
 H	 0.703888000	-2.696293000	-0.755959000
 H	 0.981541000	-1.595907000	-2.125683000
 H	 2.326389000	-2.574987000	-1.493260000
 H	 1.744157000	-2.021596000	 1.506318000
 H	 3.322807000	-2.002322000	 0.670514000
 H	 2.760141000	-0.558026000	 1.533437000

-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


