%nprocshared=12
%mem=22GB
%oldchk=Pd_reag.chk
%chk=Pd_TS_ringbz_TS_SP_1.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_TS_ringbz_TS_SP

1 1
 C                  1.47230800   -1.58182400   -0.04739600
 C                  2.35673500   -3.63855500    0.16527100
 C                  1.42937200   -3.69502800   -0.82906900
 N                  0.90047600   -2.41839100   -0.94264000
 N                  2.36706100   -2.33054400    0.63615600
 C                 -0.14442700   -1.95116600   -1.86926100
 H                  0.32323700   -1.32232000   -2.63424800
 H                 -0.58040300   -2.82711600   -2.35226500
 C                 -1.17142000   -1.17827900   -1.07874500
 C                 -2.41909500   -1.71168300   -0.86590900
 C                 -0.79011400    0.07841800   -0.50288600
 C                 -3.33097600   -1.05353300   -0.00426400
 H                 -2.69549200   -2.65346000   -1.32372800
 C                 -1.69989200    0.68026500    0.44651800
 H                 -0.59342400    0.96530500   -1.31025300
 C                 -2.97984800    0.14611200    0.65385600
 O                 -3.81195700    0.69738900    1.58302200
 O                 -4.54532600   -1.53034900    0.28676700
 O                 -1.22815300    1.77255700    1.04517700
 C                 -4.98779300   -2.76476900   -0.28943300
 H                 -4.34210100   -3.59200800    0.02253400
 H                 -5.99373900   -2.91859200    0.09877600
 H                 -5.01837600   -2.69700000   -1.38176800
 C                 -5.04805500    1.25424400    1.10117200
 H                 -5.70143300    0.47540700    0.70405400
 H                 -5.51473600    1.72448500    1.96733600
 H                 -4.85519000    2.00893900    0.32952700
 C                 -2.07050400    2.85667500    1.48041200
 H                 -1.38403700    3.69179100    1.62138800
 H                 -2.79903200    3.10443400    0.70401500
 H                 -2.57446900    2.60923500    2.41339600
 C                  3.21363100   -1.82002700    1.72605800
 H                  2.55472900   -1.34717300    2.46101900
 H                  3.66910300   -2.69170300    2.20075400
 C                  4.29700100   -0.83816900    1.26465500
 H                  4.95311600   -0.66650000    2.12706300
 H                  4.91345200   -1.30628400    0.48779900
 C                  3.77469400    0.51915600    0.77965200
 H                  3.26663200    0.36927900   -0.20630600
 H                  3.06459500    0.92292300    1.51632600
 C                  4.86249100    1.56392900    0.51647100
 H                  5.58248600    1.20488400   -0.22634300
 H                  4.41557000    2.49024300    0.14491800
 H                  5.40667800    1.79066700    1.43931200
 Pd                 1.24090400    0.38374400   -0.08957000
 C                  0.47330900    2.94269400   -1.29384600
 O                  1.23787000    2.42727600   -0.40133200
 O                 -0.41454600    2.32400700   -1.93329100
 C                  0.69980300    4.41370200   -1.58045700
 H                  1.65105200    4.53104800   -2.11096400
 H                 -0.10644900    4.81318500   -2.19630400
 H                  0.77819700    4.96822900   -0.64129900
 H                  2.99226200   -4.40328200    0.58335500
 H                  1.10701100   -4.51432300   -1.45201100

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















