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

imcn2nme2-pdph3_aq

0 1
 Pd	 0.658385000	 0.040109000	-0.010424000
 P	-1.611042000	 0.083395000	-0.018643000
 H	-2.310415000	 1.316837000	 0.026864000
 H	-2.348863000	-0.470031000	-1.096685000
 H	-2.351415000	-0.549765000	 1.012622000
 C	 2.706571000	-0.008825000	 0.001513000
 N	 3.553044000	 0.185652000	 1.064007000
 N	 3.555279000	-0.247989000	-1.050028000
 C	 3.115504000	 0.477220000	 2.428934000
 C	 4.882906000	 0.071707000	 0.690774000
 C	 4.884299000	-0.205271000	-0.659427000
 C	 3.120338000	-0.517804000	-2.420223000
 H	 2.024983000	 0.509381000	 2.418682000
 H	 3.462494000	-0.308331000	 3.106260000
 H	 3.517653000	 1.442366000	 2.749887000
 C	 5.967804000	 0.224914000	 1.585385000
 C	 5.971117000	-0.416290000	-1.539845000
 H	 2.029811000	-0.484945000	-2.425476000
 H	 3.523144000	 0.243197000	-3.094658000
 H	 3.468486000	-1.506407000	-2.732827000
 N	 6.840371000	 0.356236000	 2.345103000
 N	 6.845358000	-0.594376000	-2.288023000

-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


