%nprocshared=20
%mem=40GB
%chk=Pd_intmdte_r6_modre_opt_IRC_1_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_intmdte_r6_modre_opt_IRC_1_SP

1 1
 C                 -1.91405900   -0.98344700   -0.05095200
 C                 -3.88593300   -1.67915800    0.76277700
 C                 -2.92542900   -2.09231400    1.62921000
 N                 -1.71210500   -1.65243100    1.11600100
 N                 -3.24576000   -1.00748600   -0.26994400
 C                 -0.39922000   -1.94120300    1.72052800
 H                 -0.50024300   -1.77777600    2.79834500
 H                 -0.17155200   -2.99857800    1.55903100
 C                  0.70835700   -1.07964200    1.14832500
 C                  1.81686800   -1.68371700    0.54123300
 C                  0.63536200    0.32358400    1.24550800
 C                  2.83005900   -0.88491600   -0.00362100
 H                  1.85815800   -2.76136300    0.45219000
 C                  1.68286700    1.13870300    0.74319800
 H                 -0.14839300    0.81210800    1.81443400
 C                  2.76889700    0.53681500    0.07676100
 O                  3.69357600    1.31437900   -0.54530100
 O                  3.89142800   -1.36862900   -0.67359700
 O                  1.49010200    2.45864700    0.91950900
 C                  4.01519100   -2.78133500   -0.85175500
 H                  3.16685500   -3.17719800   -1.42125800
 H                  4.93506800   -2.92365100   -1.41761500
 H                  4.09208200   -3.29301200    0.11394800
 C                  5.05865500    1.23194000   -0.09156300
 H                  5.49885500    0.26753600   -0.34661200
 H                  5.58500400    2.03429900   -0.60912800
 H                  5.10963500    1.39423000    0.99135600
 C                  2.57796800    3.39928800    0.91312000
 H                  2.15408500    4.31176800    1.33339800
 H                  3.39544200    3.04838900    1.55046500
 H                  2.94128900    3.57827600   -0.09842100
 C                 -3.94584100   -0.29225800   -1.34128400
 H                 -3.35054600   -0.40750500   -2.25235400
 H                 -4.89227400   -0.81816100   -1.50850300
 C                 -4.17830800    1.16202100   -1.03123700
 C                 -3.80697200    1.80049900    0.07971500
 H                 -3.29542300    1.24756900    0.86758900
 H                 -1.26008100   -0.21214100   -2.23995700
 C                 -4.04652300    3.25641900    0.34803800
 H                 -4.64796900    3.39433300    1.25547100
 H                 -3.09823800    3.78336300    0.51349000
 H                 -4.56586700    3.74099800   -0.48399600
 Pd                -0.43492700   -0.08040200   -0.93341200
 H                 -4.95813200   -1.79229000    0.78641600
 H                 -2.99100300   -2.65808200    2.54523400
 H                 -4.69753000    1.70190700   -1.82183900

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






