%nprocshared=20
%mem=40GB
%oldchk=Pd_reag.chk
%chk=Pd_r5_r6_modre_TS.chk
#p opt=(ts,noeigentest,calcfc) freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_r5_r6_modre_TS

1 1
 C                 -1.95219700   -0.83321100   -0.27552900
 C                 -3.67008900   -2.30780300   -0.20597400
 C                 -2.67868600   -2.86956300   -0.94352900
 N                 -1.63414700   -1.95567200   -0.97134000
 N                 -3.20519600   -1.05946200    0.19303700
 C                 -0.36990400   -2.15692200   -1.71906200
 H                 -0.19591900   -3.23544800   -1.74611900
 H                 -0.52211200   -1.80967000   -2.74539500
 C                  0.79080300   -1.44020200   -1.07357600
 C                  1.21194700   -0.19335500   -1.58873100
 C                  1.38513700   -1.96089700    0.07097100
 C                  2.23772300    0.51723900   -0.93763500
 H                  0.80032400    0.16183500   -2.52609200
 C                  2.39614800   -1.25005300    0.73351400
 C                  2.82019900   -0.00408400    0.24237400
 O                  3.79375000    0.70402200    0.88401100
 O                  2.75125700    1.69295000   -1.36887500
 O                  2.96992800   -1.83990100    1.81457900
 C                  2.19790300    2.28134000   -2.54009400
 H                  1.12875600    2.49693700   -2.40560400
 H                  2.74217300    3.21372700   -2.68862100
 H                  2.33249100    1.63455400   -3.41523000
 C                  5.11358400    0.52629400    0.33913600
 H                  5.15197900    0.87584400   -0.69712000
 H                  5.77724100    1.13217100    0.95714100
 H                  5.41040200   -0.52678000    0.39525200
 C                  2.96195900   -1.11078300    3.05277400
 H                  3.39633600   -1.78569100    3.79115000
 H                  3.54952600   -0.19465400    2.98037100
 H                  1.93029400   -0.86990700    3.33903900
 C                 -3.58248208    0.02740956    1.11905456
 H                 -4.65364998   -0.07411893    1.31364407
 H                 -3.04830896   -0.10752987    2.06449865
 C                 -2.87126147    1.26140181    0.42392480
 C                 -2.11631288    2.47152357    0.30730631
 H                 -2.65965886    3.29097988    0.78000243
 H                 -1.85135181    1.72781337    1.67302847
 C                 -1.70287556    3.10356555   -0.98822541
 H                 -2.09283203    4.12738387   -1.02847611
 H                 -0.61219346    3.16970786   -1.05519994
 H                 -2.08269721    2.55106749   -1.85152000
 Pd                -0.70802300    0.70878400   -0.08690300
 H                 -4.64206900   -2.67999500    0.07897900
 H                 -2.62709300   -3.82120400   -1.44944300
 H                 -3.12925575    1.07219453   -0.61646626
 H                  1.07266900   -2.91245700    0.48819100

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