%nprocshared=20
%mem=44GB
%oldchk=Pd_reag.chk
%chk=Pd_prdt_ring5_TS_Calc_TS_IRC_1_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring5_TS_Calc_TS_IRC_1_SP

1 1
 C                 -2.24779900    0.90525600   -0.13321000
 C                 -4.17199200    1.92516700    0.42717800
 C                 -3.43878200    2.79576100   -0.32409900
 N                 -2.25040200    2.15031400   -0.65503000
 N                 -3.41698100    0.76720400    0.52748500
 C                 -1.12694600    2.70926900   -1.43401800
 H                 -1.36499200    2.62479100   -2.49874700
 H                 -1.05207200    3.76997900   -1.18306400
 C                  0.16163900    1.98416400   -1.10817900
 C                  0.99552100    2.44440000   -0.08884300
 C                  0.46874600    0.79464400   -1.78591300
 C                  2.13428400    1.70335400    0.25653600
 H                  0.74245500    3.35010000    0.44771100
 C                  1.64804200    0.06957800   -1.48447900
 H                 -0.10851400    0.47307900   -2.64712700
 C                  2.47025200    0.51161200   -0.43119100
 O                  3.53813500   -0.23977900   -0.01432100
 O                  2.97132100    2.02917900    1.26574000
 O                  1.82515400   -1.01139000   -2.26425600
 C                  2.70398800    3.20481800    2.02728800
 H                  1.73345600    3.13366900    2.53233400
 H                  3.49856800    3.25905800    2.77103000
 H                  2.72922300    4.10011300    1.39554700
 C                  4.84075000    0.31660500   -0.26632300
 H                  4.98316900    1.24247100    0.29421000
 H                  5.55581000   -0.43594000    0.06892200
 H                  4.97509000    0.50171900   -1.33854600
 C                  2.92580500   -1.91862100   -2.13361000
 H                  2.76202000   -2.65667500   -2.91949100
 H                  3.88011600   -1.41304800   -2.30046600
 H                  2.92189200   -2.40460300   -1.15822100
 C                 -3.57616500   -0.44730800    1.32981200
 H                 -3.40159500   -0.19166900    2.37968800
 H                 -4.60383800   -0.81484000    1.23164800
 C                 -2.55316700   -1.48822600    0.82325800
 H                 -2.13343000   -2.04829600    1.66449400
 H                  0.20262800   -0.43468300    1.96708500
 C                 -3.14589300   -2.43361300   -0.22101800
 H                 -3.95064900   -2.99955900    0.27627200
 H                 -3.63011600   -1.84812900   -1.01296600
 C                 -2.15246400   -3.42208000   -0.83776900
 H                 -1.61266800   -3.97770900   -0.06308400
 H                 -2.67493400   -4.14428800   -1.47253200
 H                 -1.40636800   -2.90963100   -1.45566100
 Pd                -0.93803400   -0.53276600   -0.06895200
 C                  1.20058600   -1.94458000    1.45317900
 O                  0.94213400   -0.98191800    2.33010900
 O                  0.55863400   -2.07685500    0.40411500
 C                  2.35440100   -2.81793100    1.82479400
 H                  2.37344400   -3.00119400    2.90124100
 H                  2.30748300   -3.75516600    1.26981000
 H                  3.26772000   -2.27677900    1.55183700
 H                 -5.14264900    2.03488200    0.88454700
 H                 -3.65786400    3.79946200   -0.65332000

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

















