%nprocshared=20
%mem=40GB
%chk=Pd_intmdte_r6_modre_opt.chk
#p opt=(ts,noeigentest,calcfc) freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_intmdte_r6_modre_opt

1 1
 C                 -2.12146200   -1.17808700   -0.24653800
 C                 -4.07284600   -0.93687400    0.91018100
 C                 -3.25356100   -1.72986900    1.64959000
 N                 -2.07069600   -1.85569700    0.92680500
 N                 -3.36213700   -0.61492400   -0.24269500
 C                 -0.82620800   -2.46467200    1.43427700
 H                 -0.94581800   -2.57923000    2.51580200
 H                 -0.70342900   -3.46118500    1.00176600
 C                  0.36594600   -1.59123100    1.09646800
 C                  1.36441800   -2.06689700    0.25458200
 C                  0.38783900   -0.24806600    1.51078800
 C                  2.37558500   -1.20422100   -0.21051200
 H                  1.32123600   -3.08911300   -0.09879500
 C                  1.42096200    0.62180400    1.09136800
 H                 -0.33848200    0.13562600    2.22000500
 C                  2.40836000    0.15417000    0.18905600
 O                  3.30853500    1.03709700   -0.32400800
 O                  3.33285000   -1.57214200   -1.08658400
 O                  1.35707700    1.88382200    1.58417100
 C                  3.34097900   -2.91168400   -1.58241600
 H                  2.41840500   -3.13044200   -2.13198800
 H                  4.19203600   -2.96555500   -2.26055400
 H                  3.47232000   -3.63265100   -0.76790900
 C                  4.70678300    0.78111000   -0.09065000
 H                  5.04883900   -0.07841900   -0.66754900
 H                  5.22558700    1.68374900   -0.41506700
 H                  4.89067500    0.61258100    0.97685900
 C                  2.55641400    2.63605200    1.84005400
 H                  2.25515400    3.41429300    2.54258800
 H                  3.31707400    2.00096600    2.30446300
 H                  2.94783700    3.07853500    0.92421200
 C                 -3.73697600    0.40453800   -1.22667600
 H                 -3.88514600   -0.05943600   -2.20565000
 H                 -4.69218400    0.83879000   -0.91542100
 C                 -2.68262300    1.51277600   -1.32957400
 C                 -1.94134500    1.91843400   -0.23449100
 H                 -2.21832500    1.50405500    0.73650800
 H                 -1.55929600    0.76980100   -2.06016500
 C                 -1.25034000    3.25624900   -0.17223300
 H                 -1.92449400    3.99514600    0.28400800
 H                 -0.35703500    3.19687500    0.45718200
 H                 -0.96834000    3.61652300   -1.16633400
 Pd                -0.57325800    0.42445600   -0.83256800
 H                 -5.08228900   -0.59975000    1.09016000
 H                 -3.41168000   -2.21374400    2.60119500
 H                 -2.84220800    2.22055200   -2.14422700

C H O N 
6-31G(d)
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Pd
lanl2dz
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Pd
lanl2dz










