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

pyc4-3-5-me2nh-incl2_aq

1 1
 In	 0.064549000	 0.064353000	-0.000834000
 Cl	 0.234269000	-1.638971000	-1.510088000
 Cl	-1.639409000	 0.232902000	 1.507892000
 C	 1.607122000	 1.607115000	-0.000128000
 C	 1.245850000	 2.973340000	 0.093158000
 C	 2.973386000	 1.245972000	-0.093145000
 C	 2.257532000	 3.931087000	 0.091908000
 C	-0.188507000	 3.437469000	 0.188686000
 C	 3.437572000	-0.188313000	-0.189428000
 C	 3.931075000	 2.257705000	-0.091176000
 H	 2.072865000	 4.997063000	 0.162036000
 N	 3.548381000	 3.548501000	 0.000546000
 H	-0.754479000	 3.149703000	-0.706706000
 H	-0.689852000	 2.998975000	 1.058764000
 H	-0.259558000	 4.525124000	 0.276107000
 H	 3.149787000	-0.754762000	 0.705655000
 H	 2.999101000	-0.689232000	-1.059767000
 H	 4.525233000	-0.259274000	-0.276847000
 H	 4.997079000	 2.073134000	-0.161117000
 H	 4.268175000	 4.268341000	 0.000773000

-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



