%mem=20000MB
%nprocshared=12
#p opt=(maxcycles=500,z-matrix) freq=noraman b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

H2_eta1_PdPH3 complex optimization vacuum

0 1
 Pd                -0.55850500   -0.00199700    0.00059500
 P                  1.69203000    0.00186300    0.00039200
 H                  2.41006900   -1.05100900   -0.61789600
 H                  2.39269900    1.06561600   -0.61909800
 H                  2.42254300    0.00870200    1.21398100
 H                  1            B5    2            A4    4            D3    0
 H                  6            B6    1            A5    4            D4    0

 B5 2.0000
 A4 179.25792 
 D3 -18.53229
 B6  0.75000
 A5  178.61752 -1 
 D4 160.14171

-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
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-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


