%nprocshared=12
%mem=22GB
%chk=Pd_reag.chk
#p opt=(ts,noeigentest,calcfc) freq b3lyp/genecp
empiricaldispersion=gd3bj

Pd_TS_ring4_bz_TS_Calc_1

1 1
 C                 -2.15523700    0.97206900   -0.13752200
 C                 -3.85138800    1.50162600   -1.51477400
 C                 -2.70765100    1.97281900   -2.08653800
 N                 -1.66625000    1.62960200   -1.23907700
 N                 -3.48789400    0.88651100   -0.32519500
 C                 -0.24259800    1.88817300   -1.43995100
 H                 -0.08169508    2.89273303   -1.82920224
 H                  0.25963900    2.50560100   -0.39043000
 C                  0.48050536    0.80679199   -2.12893044
 C                  1.83563565    0.94738082   -2.38703543
 C                 -0.10719409   -0.52611611   -2.17223551
 C                  2.61507534   -0.18364156   -2.68132335
 H                  2.30406354    1.91616740   -2.26914221
 C                  0.71123676   -1.66900810   -2.55330507
 H                 -1.11904435   -0.59937209   -2.56420562
 C                  2.06751745   -1.50478649   -2.77548622
 O                  2.90110680   -2.55993860   -3.00707098
 O                  3.93521427   -0.13559419   -2.85177682
 O                 -0.00872642   -2.78910648   -2.64357319
 C                  4.62581123    1.12060800   -2.77596083
 H                  4.51579943    1.55892501   -1.77935351
 H                  5.67185805    0.88319310   -2.96324984
 H                  4.25574341    1.81204195   -3.53885201
 C                  3.43062312   -2.67202087   -4.33911329
 H                  4.05996548   -1.81401523   -4.58708284
 H                  4.03119776   -3.58217973   -4.34258205
 H                  2.61755230   -2.76161879   -5.06977851
 C                  0.56523684   -4.07586798   -2.94282095
 H                 -0.27135291   -4.76943637   -2.86054000
 H                  0.96289251   -4.09454868   -3.96024511
 H                  1.34728066   -4.32798387   -2.22738355
 C                 -4.38804200    0.13233000    0.55594200
 H                 -3.89131300    0.07986200    1.52788400
 H                 -5.30668500    0.71350500    0.67533800
 C                 -4.68150300   -1.27352700    0.02152600
 H                 -5.31714700   -1.77323000    0.76342500
 H                 -5.27728800   -1.20211700   -0.89793400
 C                 -3.42480900   -2.11144900   -0.23928200
 H                 -2.86094500   -1.66120500   -1.06738900
 H                 -2.76446500   -2.07312600    0.63791900
 C                 -3.74734300   -3.56661800   -0.58530700
 H                 -4.38130400   -3.63184400   -1.47710800
 H                 -2.83218000   -4.13442800   -0.78307300
 H                 -4.27774100   -4.05991200    0.23696200
 Pd                -0.87590260    0.59171716    1.02401439
 C                  1.53208400    2.05651800    1.39508000
 O                  0.99944400    0.98093600    1.88516700
 O                  0.90331700    2.85261400    0.62335500
 C                  2.95027900    2.35010700    1.79462400
 H                  3.59113600    1.49780000    1.54579600
 H                  3.30651600    3.25659300    1.30301700
 H                  3.00081900    2.48042800    2.88082400
 H                 -4.87891500    1.56552500   -1.83723400
 H                 -2.55102000    2.51901400   -3.00329300

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




