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

H2_eta1_PdHPH32 complex optimization

1 1
 H                  0.01849496    2.72756202    0.10633222
 H                 -0.00679940    1.97514979    0.07800139
 Pd                -0.00002100    0.06912000   -0.02469700
 P                  2.33642900   -0.16578900    0.02218700
 P                 -2.33655400   -0.16563900    0.02218500
 H                  0.00051600   -1.45541500    0.05549600
 H                  3.08938100    1.02443800   -0.00854100
 H                  2.88505800   -0.80799000    1.14628200
 H                  2.92803100   -0.89324200   -1.02642900
 H                 -3.08957000    1.02451000   -0.01025200
 H                 -2.92813100   -0.89452900   -1.02545600
 H                 -2.88536400   -0.80629500    1.14708900

-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


