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

imnme2nme2-pdhph32_aq

1 1
 Pd	-2.323736000	-0.003065000	 0.089600000
 P	-2.743878000	-0.704189000	-2.071882000
 H	-3.526200000	 0.149554000	-2.873573000
 H	-1.676884000	-0.955699000	-2.960151000
 H	-3.468184000	-1.902755000	-2.221545000
 P	-2.522948000	 0.676961000	 2.288728000
 H	-3.301944000	 1.824402000	 2.533572000
 H	-3.142371000	-0.225939000	 3.174609000
 H	-1.374761000	 1.000865000	 3.042178000
 C	-0.204839000	 0.058032000	-0.037559000
 N	 0.562454000	 1.135715000	-0.350443000
 N	 0.671779000	-0.954010000	 0.156451000
 C	 0.045017000	 2.461935000	-0.671840000
 C	 1.927269000	 0.807547000	-0.354745000
 C	 2.008274000	-0.521350000	-0.023046000
 C	 0.298450000	-2.326715000	 0.480560000
 H	-0.950851000	 2.361955000	-1.107039000
 H	-0.017471000	 3.086418000	 0.225480000
 H	 0.720921000	 2.933629000	-1.388105000
 N	 3.143729000	-1.304674000	 0.151070000
 H	 0.423171000	-2.976325000	-0.391040000
 H	 0.925029000	-2.699778000	 1.293478000
 H	-0.746722000	-2.341154000	 0.794944000
 C	 3.355165000	-2.442626000	-0.741689000
 C	 3.641857000	-1.487172000	 1.514691000
 H	 2.854041000	-3.364177000	-0.401020000
 H	 2.993922000	-2.195236000	-1.744148000
 H	 4.428946000	-2.652228000	-0.808274000
 H	 3.125849000	-2.295168000	 2.061872000
 H	 4.708757000	-1.735649000	 1.478033000
 H	 3.524299000	-0.555557000	 2.074677000
 H	-3.916252000	-0.045791000	 0.183305000
 N	 2.886412000	 1.753394000	-0.703340000
 C	 3.250657000	 2.698567000	 0.361738000
 C	 4.048143000	 1.252352000	-1.446652000
 H	 3.792661000	 3.541747000	-0.077531000
 H	 2.351976000	 3.086753000	 0.849131000
 H	 3.889062000	 2.228551000	 1.127937000
 H	 4.557701000	 2.106843000	-1.903325000
 H	 4.759635000	 0.709413000	-0.808841000
 H	 3.710586000	 0.582788000	-2.241777000

-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


