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

pyc4-35me2nh_aq

0 1
 C	 0.889511000	 0.070792000	-0.002861000
 C	 3.022568000	 1.304111000	-0.004328000
 H	 3.635667000	 2.202254000	-0.004837000
 C	 1.637648000	 1.288695000	-0.003710000
 C	 1.687356000	-1.115156000	-0.002892000
 C	 1.000072000	-2.463997000	-0.002649000
 H	 0.346589000	-2.548263000	 0.873330000
 H	 0.355482000	-2.553316000	-0.884811000
 H	 1.704730000	-3.306389000	 0.003051000
 C	 0.895197000	 2.607986000	-0.004080000
 H	 0.244474000	 2.668433000	-0.884148000
 H	 0.241773000	 2.667317000	 0.874018000
 H	 1.564469000	 3.478779000	-0.002606000
 H	 3.721452000	-1.945313000	-0.003418000
 N	 3.708301000	 0.129082000	-0.004232000
 C	 3.071732000	-1.073293000	-0.003535000
 H	 4.720238000	 0.150002000	-0.004512000

-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


