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

Pd_TS_ring_MeO_TS_Calc

1 1
 C                 -1.28773600   -1.51405500   -0.49849000
 C                 -3.00582300   -2.91002800   -0.07433800
 C                 -1.86673400   -3.64325600    0.00979900
 N                 -0.82154200   -2.77113400   -0.24984200
 N                 -2.63447600   -1.61316700   -0.39208400
 C                  0.58374200   -3.19253500   -0.34127000
 H                  0.74929200   -3.95560900    0.42281400
 H                  0.74666300   -3.65193000   -1.32257600
 C                  1.51321800   -2.02584300   -0.13984000
 C                  2.11304200   -1.78695800    1.08260300
 C                  1.71364800   -1.11151100   -1.21150800
 C                  2.95325300   -0.66986100    1.25740000
 H                  1.91868300   -2.44773300    1.91770100
 C                  2.57890100    0.02115300   -1.01479800
 H                  1.56261000   -1.43822600   -2.24031400
 C                  3.20757200    0.26000000    0.19823100
 O                  4.01409800    1.27156100    0.53943600
 O                  3.54256500   -0.36220800    2.40755800
 O                  2.56262900    0.96393700   -2.00511000
 C                  3.34343900   -1.18706400    3.56165200
 H                  3.71361600   -2.20154800    3.38146600
 H                  3.92487400   -0.71690900    4.35322700
 H                  2.28521200   -1.21180100    3.84236100
 C                  4.21418300    2.41946800   -0.30128200
 H                  3.27959900    2.97159500   -0.43027700
 H                  4.92879700    3.03325900    0.24705600
 H                  4.62343500    2.13583400   -1.27214000
 C                  1.24210700    1.56315500   -1.97624500
 H                  1.38336400    2.64791300   -2.06239000
 H                  0.67914500    1.26911300   -2.87266300
 H                  0.81977400    1.80973600   -0.69296400
 C                 -3.60739800   -0.51445700   -0.51290900
 H                 -3.17190000    0.24255000   -1.16119700
 H                 -4.49107100   -0.92730800   -1.00845600
 C                 -3.96223000    0.08432100    0.84717900
 H                 -4.41454500   -0.68661700    1.48521800
 H                 -3.03385700    0.40378900    1.33408000
 C                 -4.91378900    1.27589200    0.70672300
 H                 -4.44069100    2.03012000    0.06488600
 H                 -5.82818000    0.95723700    0.18831800
 C                 -5.28081600    1.89535700    2.05705800
 H                 -4.38811000    2.24535900    2.58972600
 H                 -5.95056100    2.75160000    1.93004000
 H                 -5.78617200    1.16816100    2.70280900
 Pd                -0.13537200    0.07307900   -1.00427400
 C                 -0.90619100    2.47790000    0.23293600
 O                 -1.52107300    1.57176000   -0.43042200
 O                  0.35843000    2.54136100    0.31737600
 C                 -1.74888900    3.50274800    0.94871500
 H                 -2.20069500    3.03561500    1.83074100
 H                 -1.13548300    4.34651600    1.26494000
 H                 -2.56204700    3.83845900    0.30065900
 H                 -4.03927200   -3.18896700    0.05840000
 H                 -1.70741800   -4.68956900    0.21821500

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




