%mem=20000MB
%nprocshared=12
#p opt=(cartesian,loose,maxstep=2) freq=noraman b3lyp/genecp 5d 7f
empiricaldispersion=gd3 scf=(xqc,maxcyc=1000,conver=8,nosym)

H2_eta1_PdPH3 complex optimization vacuum

0 1
 H                 -4.10665200   -0.03242100   -0.00015400
 H                 -3.36919600    0.07413500    0.00037100
 Pd                -0.53490800   -0.00181000   -0.00000400
 P                  1.66125300    0.00207500    0.00006100
 H                  2.38879100   -0.83410700   -0.88684800
 H                  2.38501600    1.19015900   -0.28233100
 H                  2.38900400   -0.34560500    1.16821700

-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


