%nprocshared=24
%mem=95GB
%chk=Pd_TS_ring4_2_TS_Calc_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_TS_ring4_2_TS_Calc_SP

1 1
 C                 -1.30284400    1.59771800    0.02588300
 C                 -2.89352100    3.01340400    0.66360100
 C                 -1.93606900    3.72329900   -0.01094100
 N                 -0.94527100    2.81481300   -0.39639900
 N                 -2.45989100    1.69052700    0.67090500
 C                  0.32485800    3.00162200   -1.12084600
 H                  0.11449400    3.06957200   -2.19397100
 H                  0.77290000    3.94351600   -0.79759400
 C                  1.25331500    1.83633700   -0.81585600
 C                  2.34212100    2.02307400    0.00074900
 C                  0.95661100    0.52125500   -1.32517600
 C                  3.19374300    0.93068100    0.31211500
 H                  2.54130200    2.99890200    0.42543000
 C                  1.89790300   -0.54645800   -1.10988200
 H                  0.34914900    0.43125800   -2.22500100
 C                  2.98386600   -0.35120100   -0.23701200
 O                  3.82173000   -1.37877800    0.07505300
 O                  4.24766300    1.02871300    1.13026200
 O                  1.64117600   -1.63939600   -1.81877000
 C                  4.56734300    2.28428800    1.74010100
 H                  3.74464100    2.62926000    2.37489400
 H                  5.44616500    2.08976100    2.35336700
 H                  4.80507200    3.03822300    0.98229500
 C                  5.13791800   -1.31719700   -0.50354100
 H                  5.68896700   -0.45007900   -0.13205000
 H                  5.63948900   -2.23409100   -0.19258500
 H                  5.07396100   -1.28183400   -1.59764200
 C                  2.14518000   -2.94920800   -1.47384700
 H                  1.51881500   -3.63337900   -2.04556000
 H                  3.18812900   -3.05076800   -1.77766500
 H                  2.02846600   -3.12816800   -0.40757700
 C                 -2.94013800    0.38502500    1.19111400
 H                 -2.19325500   -0.85403600    1.32824800
 H                 -3.09134300    0.48084500    2.27043900
 C                 -4.17296600   -0.12002600    0.45672900
 H                 -4.49279400   -1.04265700    0.95407700
 H                 -4.99483000    0.60291100    0.57969500
 C                 -3.94228500   -0.38867500   -1.03287400
 H                 -3.65177700    0.54359700   -1.53540900
 H                 -3.08687700   -1.07494900   -1.13323500
 C                 -5.16975400   -0.98634900   -1.72396300
 H                 -6.02940200   -0.30965100   -1.65789600
 H                 -4.97336500   -1.17460600   -2.78416500
 H                 -5.45671200   -1.93697100   -1.26062800
 Pd                -0.67087900   -0.19666000    0.05880000
 C                 -1.13946900   -2.75412200    1.16694900
 O                 -2.09807800   -2.10351900    1.70373300
 O                 -0.29067600   -2.24691800    0.36767300
 C                 -1.00551200   -4.21126400    1.52831000
 H                 -1.98394400   -4.69613600    1.48148700
 H                 -0.29836600   -4.71267100    0.86677500
 H                 -0.65079600   -4.28780500    2.56215000
 H                 -3.81085600    3.34021000    1.12765300
 H                 -1.87698800    4.77468000   -0.24515800

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








