%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	 0.818060000	 0.069637000	-0.003228000
 C	 2.976748000	 1.301933000	-0.004810000
 H	 3.581905000	 2.205511000	-0.005506000
 C	 1.596428000	 1.271342000	-0.004091000
 C	 1.645640000	-1.098753000	-0.003211000
 H	 3.668131000	-1.949813000	-0.003866000
 N	 3.668831000	 0.128751000	-0.004685000
 C	 3.026011000	-1.072110000	-0.003901000
 H	 4.681010000	 0.149725000	-0.005182000
 H	 1.183327000	-2.086769000	-0.002593000
 H	 1.093557000	 2.239361000	-0.004174000

-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


