%nprocshared=20
%mem=44GB
%oldchk=Pd_reag.chk
%chk=Pd_prdt_ring5_TS_opt_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring5_TS_opt_SP

1 1
 C                 -1.91834600    1.39113800   -0.10617800
 C                 -3.68907900    2.72357300    0.26156700
 C                 -2.72232900    3.47707400   -0.33216800
 N                 -1.63430200    2.63671400   -0.54423800
 N                 -3.17160900    1.44365200    0.38936200
 C                 -0.33428000    3.01551900   -1.11554800
 H                 -0.43669400    3.09511200   -2.20379000
 H                 -0.07372700    4.00210800   -0.72565700
 C                  0.73445900    2.00663900   -0.75622400
 C                  1.72300500    2.31841900    0.15052700
 C                  0.70332800    0.71530800   -1.37050100
 C                  2.73309000    1.36784200    0.43639700
 H                  1.72010800    3.27761800    0.65229800
 C                  1.81495500   -0.17791200   -1.19199600
 H                  0.14099400    0.58107700   -2.29260800
 C                  2.79612300    0.12550900   -0.23396100
 O                  3.78697600   -0.76349300    0.06131400
 O                  3.69872000    1.56771200    1.34302600
 O                  1.78896600   -1.22436200   -2.00844300
 C                  3.73820900    2.79277400    2.08168400
 H                  2.82082800    2.92533300    2.66476800
 H                  4.58949400    2.69625700    2.75432500
 H                  3.88988400    3.64792600    1.41443800
 C                  5.10821900   -0.41104800   -0.38393700
 H                  5.45654000    0.50253100    0.10320500
 H                  5.74816900   -1.24724900   -0.10013600
 H                  5.12515600   -0.28511100   -1.47327100
 C                  2.58531000   -2.41038100   -1.81371500
 H                  2.15436600   -3.13707000   -2.50236700
 H                  3.62778100   -2.22131300   -2.07662900
 H                  2.49955800   -2.75714900   -0.78723500
 C                 -3.72304100    0.28768800    1.10093100
 H                 -3.56862300    0.44421800    2.17323300
 H                 -4.80255000    0.25551900    0.91321000
 C                 -3.06885500   -1.01912200    0.64533000
 H                 -3.42829800   -1.76463800    1.37155600
 H                 -1.89845400   -1.50157900    1.21486200
 C                 -3.51912100   -1.51435600   -0.73768000
 H                 -4.61046000   -1.65182600   -0.69912500
 H                 -3.33445700   -0.75203600   -1.50351300
 C                 -2.86472800   -2.83546800   -1.15403600
 H                 -3.01443100   -3.60636100   -0.38952500
 H                 -3.29762900   -3.20123400   -2.08995400
 H                 -1.78618900   -2.71704100   -1.30314800
 Pd                -0.87427900   -0.26378500   -0.03611700
 C                 -0.13002900   -2.72017900    1.24427200
 O                 -1.18114600   -2.46361700    1.90034200
 O                  0.25766200   -2.02982900    0.24267300
 C                  0.71860300   -3.90412700    1.63877000
 H                  0.32862100   -4.37767000    2.53962000
 H                  0.72864000   -4.62792000    0.81705100
 H                  1.74928900   -3.57494900    1.80268000
 H                 -4.67928600    2.98587700    0.59942900
 H                 -2.71279400    4.51649800   -0.62072400

C H O N
cc-pVTZ
****
@/home/eapaloo/electrocyreact/cc-pVTZ_Pd_Basis_set.gbs/N



















