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

Pd_TS_ring6_2_TS_Calc

1 1
 C                 -2.01332400   -1.26266300   -0.19668700
 C                 -3.93320100   -2.37794700   -0.53845000
 C                 -2.93113800   -3.29623200   -0.48411100
 N                 -1.75265500   -2.58676100   -0.27589300
 N                 -3.34786100   -1.13206300   -0.36016400
 C                 -0.41612300   -3.18907400   -0.14738100
 H                 -0.39975300   -3.80830100    0.75360300
 H                 -0.27501200   -3.84995000   -1.01110300
 C                  0.69397600   -2.16443000   -0.08765600
 C                  0.77208900   -1.12533400   -1.07767300
 C                  1.64886300   -2.24845900    0.89233700
 C                  1.91881200   -0.28271900   -1.08267500
 H                  0.20109100   -1.23383600   -1.99386100
 C                  2.76042000   -1.35958500    0.91935900
 H                  1.59318800   -2.98967900    1.68187600
 C                  2.90426000   -0.37859700   -0.07667400
 O                  3.93737100    0.51391000   -0.05747200
 O                  2.13566700    0.66006400   -2.00716000
 O                  3.56940100   -1.56815600    1.96159100
 C                  1.14206500    0.91016900   -2.99956400
 H                  0.18252700    1.15294900   -2.52795900
 H                  1.50641900    1.76507400   -3.56800300
 H                  1.02284500    0.04964500   -3.66750900
 C                  4.95902200    0.30478600   -1.04569100
 H                  4.55403600    0.40404500   -2.05588100
 H                  5.70548800    1.08039500   -0.86989700
 H                  5.41786500   -0.68422300   -0.92329600
 C                  4.71179200   -0.74928600    2.27012100
 H                  5.06804700   -1.13596500    3.22512800
 H                  5.48976700   -0.86366000    1.51201700
 H                  4.43018100    0.29961700    2.36182700
 C                 -4.00409300    0.18278700   -0.47042300
 H                 -3.55697700    0.69178100   -1.32966400
 H                 -5.05700800    0.00012300   -0.69549400
 C                 -3.85515000    1.04404800    0.78769500
 H                 -4.21320900    2.04624800    0.52222800
 H                 -4.52615200    0.66538400    1.57070600
 C                 -2.42917800    1.13350800    1.35211400
 H                 -2.22807200    0.19223400    1.87418000
 H                 -1.82985200    2.00655300    0.43636200
 C                 -2.27110000    2.20019700    2.45811000
 H                 -2.90057400    1.92980600    3.31520600
 H                 -1.23422500    2.24467400    2.80534200
 H                 -2.56185400    3.19654300    2.11629500
 Pd                -0.75454000    0.23252800    0.05899100
 C                 -0.16715200    3.02416000   -0.06308000
 O                 -1.45283000    3.05015400   -0.08147300
 O                  0.49322800    1.96990300    0.15979900
 C                  0.56160900    4.31863800   -0.29672500
 H                  0.51118200    4.91855200    0.61924500
 H                  1.60698400    4.12787600   -0.54133600
 H                  0.07174500    4.88881400   -1.08974800
 H                 -4.99377800   -2.49841200   -0.69440900
 H                 -2.94981200   -4.37160700   -0.56699100

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




