%nprocshared=18
%mem=40GB
%chk=Pd_reag.chk
#p opt=noeigentest freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring5_from_TS

1 1
 C                 -2.09112400    1.13136000   -0.09300400
 C                 -3.96329500    2.26308800    0.43145000
 C                 -3.15506700    3.09645600   -0.28362900
 N                 -1.99954400    2.38353600   -0.58815400
 N                 -3.28113200    1.06239800    0.53913800
 C                 -0.83142100    2.85762200   -1.35076400
 H                 -1.05083300    2.75872600   -2.41817300
 H                 -0.69702300    3.91817000   -1.12621900
 C                  0.39670000    2.05751700   -0.97893800
 C                  1.21210200    2.46898100    0.07299200
 C                  0.66986600    0.85787800   -1.65731000
 C                  2.31360000    1.68173400    0.43390100
 H                  0.98621300    3.38351100    0.60706600
 C                  1.82562500    0.09731600   -1.34609400
 H                  0.12126500    0.58574500   -2.55419200
 C                  2.63539400    0.49637300   -0.26967900
 O                  3.71191200   -0.24954600    0.12591900
 O                  3.15287800    1.98104000    1.44756800
 O                  2.02319200   -0.94735800   -2.16867900
 C                  2.82668400    3.08051100    2.29454000
 H                  1.81461100    2.97497900    2.70185500
 H                  3.55380300    3.05044100    3.10543000
 H                  2.91364700    4.03309900    1.75916500
 C                  4.99732600    0.31876700   -0.17343900
 H                  5.12966200    1.27430500    0.33925600
 H                  5.73270400   -0.40007300    0.18989300
 H                  5.11631600    0.45463800   -1.25508600
 C                  2.97356200   -1.98707200   -1.90472200
 H                  2.69668100   -2.78990900   -2.58842400
 H                  3.99082100   -1.65115500   -2.12461200
 H                  2.91199600   -2.32318100   -0.87208600
 C                 -3.54597100   -0.16506200    1.27156100
 H                 -3.29746900    0.00739800    2.32290800
 H                 -4.61358700   -0.40101500    1.20062100
 C                 -2.66780000   -1.26718000    0.65144400
 H                 -2.40163700   -1.99645900    1.42521300
 H                 -0.76460400   -1.70549000    2.02881800
 C                 -3.35124200   -1.99250100   -0.50858000
 H                 -4.28330900   -2.43243900   -0.11677200
 H                 -3.65457300   -1.26551300   -1.27166100
 C                 -2.51750300   -3.10457300   -1.14836000
 H                 -2.19789500   -3.83684400   -0.39703500
 H                 -3.10297100   -3.63732000   -1.90355900
 H                 -1.61970800   -2.70943400   -1.63457600
 Pd                -0.89853400   -0.40889900   -0.11157400
 C                  0.61843200   -2.67532600    1.22044000
 O                 -0.08000700   -2.35553100    2.30281500
 O                  0.42330200   -2.14974600    0.12064200
 C                  1.62533200   -3.75823400    1.44930500
 H                  2.00384000   -3.72645500    2.47224300
 H                  1.12895100   -4.72428900    1.29759400
 H                  2.44000300   -3.67400500    0.73028300
 H                 -4.93683000    2.42644000    0.86567400
 H                 -3.30019900    4.11713100   -0.60090300

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