%nprocshared=20
%mem=40GB
%oldchk=Pd_reag.chk
%chk=Pd_ring6_AcOH_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_ring6_AcOH_SP

1 1
 C                 -2.44189500    0.75055300    0.01013500
 C                 -4.45296900    1.76337300    0.07130600
 C                 -3.51607600    2.71073000    0.33282800
 N                 -2.28397800    2.07142700    0.28998200
 N                 -3.77284700    0.56890300   -0.12614600
 C                 -1.01034500    2.72495700    0.63512400
 H                 -0.99921600    3.69515900    0.12725200
 H                 -1.00846200    2.91359800    1.71289400
 C                  0.21678900    1.92495000    0.25315100
 C                  1.17859700    1.63268400    1.23229400
 C                  0.44272500    1.55853000   -1.08301300
 C                  2.37062400    1.00095200    0.86160100
 H                  0.99265100    1.90219200    2.26435000
 C                  1.65030800    0.93162600   -1.46381300
 H                 -0.25279200    1.82992800   -1.87012800
 C                  2.62208100    0.66389700   -0.48896900
 O                  3.78054000    0.00892100   -0.81216900
 O                  3.34768900    0.63831500    1.72413400
 O                  1.76889900    0.65578600   -2.77773000
 C                  3.15684800    0.89004000    3.11512700
 H                  2.28041200    0.35005100    3.49047900
 H                  4.05488700    0.51637600    3.60661400
 H                  3.05135800    1.96295600    3.31215500
 C                  4.95177700    0.84381600   -0.86552500
 H                  5.15240900    1.29108900    0.11168800
 H                  5.77483300    0.18624700   -1.14838600
 H                  4.82541800    1.62725900   -1.62096000
 C                  2.46076200   -0.52622900   -3.21915400
 H                  2.08232500   -0.71226300   -4.22535800
 H                  3.53986100   -0.36939700   -3.24912000
 H                  2.22517500   -1.37099700   -2.56740200
 C                 -4.43517300   -0.72740600   -0.34383600
 H                 -4.84740300   -1.05498100    0.61616600
 H                 -5.27299700   -0.55537900   -1.02469300
 C                 -3.49662000   -1.78291300   -0.92045200
 H                 -4.09022600   -2.70699900   -0.99876000
 H                 -3.21399100   -1.50606000   -1.94188700
 C                 -2.24907200   -2.07648000   -0.09412400
 H                 -1.65046300   -2.83352600   -0.61247600
 C                 -2.51903000   -2.50115600    1.34289500
 H                 -3.18917700   -3.37454800    1.35992300
 H                 -1.59828900   -2.79605100    1.85586100
 H                 -2.99262400   -1.71063600    1.93407400
 Pd                -0.93313800   -0.49905600   -0.21368300
 C                  1.42757600   -2.08904000    0.72832400
 O                  1.00881800   -1.68989400    1.92684000
 O                  0.78311000   -1.86072100   -0.30245100
 C                  2.75241600   -2.77492000    0.72944700
 H                  2.95433700   -3.24575400    1.69249400
 H                  2.79287600   -3.50369600   -0.08149400
 H                  3.50962000   -2.00332900    0.53937400
 H                 -5.52717600    1.83091000   -0.00218800
 H                 -3.61182600    3.76628100    0.53424600
 H                  0.17221300   -1.18121000    1.79879000

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










