%nprocshared=12
%mem=22GB
%chk=Pd_reag.chk
#p opt=(ts,noeigentest,calcfc) freq b3lyp/genecp
empiricaldispersion=gd3bj

Pd_TS_ringbz_TS

1 1
 C                 -1.56520300   -1.50459100    0.04318500
 C                 -2.60670400   -3.48381800   -0.16268000
 C                 -1.61836100   -3.63583700    0.76079800
 N                 -0.99191100   -2.40419200    0.87066800
 N                 -2.55755500   -2.16353100   -0.59568200
 C                  0.12501600   -2.03106200    1.75589500
 H                 -0.27664200   -1.44001500    2.58631900
 H                  0.55335900   -2.94996800    2.15899200
 C                  1.14127200   -1.24753500    0.96022900
 C                  2.42802400   -1.73933100    0.81895700
 C                  0.73505900   -0.03823800    0.32923200
 C                  3.34247200   -1.08125000   -0.02654400
 H                  2.72281800   -2.63999600    1.34363000
 C                  1.63215200    0.53247500   -0.62662000
 H                  0.75718200    0.94024400    1.23162900
 C                  2.93778300    0.05599200   -0.76127700
 O                  3.81669400    0.66248800   -1.61103200
 O                  4.61600300   -1.45548200   -0.20604900
 O                  1.20719200    1.65110100   -1.26109900
 C                  5.11751400   -2.59065900    0.50382000
 H                  4.58289500   -3.50119100    0.21196000
 H                  6.16477600   -2.67357800    0.21567700
 H                  5.04164800   -2.44039300    1.58645800
 C                  4.71528100    1.58469700   -0.96878400
 H                  5.35621100    1.06223500   -0.25219800
 H                  5.32551900    2.01171500   -1.76535700
 H                  4.15291400    2.37765700   -0.46302800
 C                  1.30672100    1.71051500   -2.69716600
 H                  0.87111500    2.67068000   -2.97342500
 H                  2.34361400    1.64562100   -3.02541300
 H                  0.71937400    0.89713700   -3.13838000
 C                 -3.44523500   -1.55723900   -1.60031200
 H                 -2.81168200   -1.09755700   -2.36520800
 H                 -3.98965200   -2.37894000   -2.07036500
 C                 -4.42741200   -0.52908400   -1.02559700
 H                 -5.13483300   -0.28921000   -1.82896300
 H                 -5.01149400   -0.98820400   -0.21898700
 C                 -3.79132500    0.77842700   -0.53875400
 H                 -3.22513300    0.57301400    0.40152200
 H                 -3.10944200    1.16381400   -1.31215000
 C                 -4.80112800    1.87238700   -0.17873200
 H                 -5.48953000    1.53088100    0.60142800
 H                 -4.28422900    2.76452200    0.18591000
 H                 -5.39243600    2.15341100   -1.05658500
 Pd                -1.18815000    0.42557400    0.11417100
 C                 -0.03775700    2.82252200    1.45865100
 O                 -0.94407200    2.55053400    0.62892400
 O                  0.82620200    1.97310500    1.89596300
 C                  0.08982300    4.23206100    1.97746800
 H                 -0.82957900    4.79013200    1.79792500
 H                  0.33624500    4.22144100    3.04173700
 H                  0.91498100    4.72339500    1.44930100
 H                 -3.32027000   -4.18976500   -0.55757300
 H                 -1.31068100   -4.49597700    1.33409600

C H O N 
6-31G(d)
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Pd
lanl2dz
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Pd
lanl2dz



