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

pyc4nh-pdph3_aq

0 1
 Pd	 1.151409000	-0.003880000	 0.001282000
 P	 3.423833000	-0.003614000	-0.015719000
 H	 4.152356000	 0.302378000	 1.165554000
 H	 4.176692000	-1.163740000	-0.344594000
 H	 4.153673000	 0.876930000	-0.859504000
 C	-0.886639000	-0.000963000	 0.000812000
 C	-1.680598000	-1.197530000	-0.007483000
 C	-1.678529000	 1.196997000	 0.003808000
 C	-3.056038000	-1.186622000	-0.012534000
 C	-3.054004000	 1.188517000	-0.001324000
 H	-3.672725000	-2.080064000	-0.018933000
 N	-3.726701000	 0.001575000	-0.009480000
 H	-3.669120000	 2.083069000	 0.000734000
 H	-4.738674000	 0.002470000	-0.013097000
 H	-1.187075000	 2.165038000	 0.010285000
 H	-1.190808000	-2.166438000	-0.010160000

-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


