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

Pd_TS_ring4_2_TS_Calc

1 1
 C                 -1.11899300   -0.82263800    0.11909300
 C                 -0.60363800   -1.02621200    2.30671400
 C                  0.50306100   -1.32074900    1.56264800
 N                  0.16460700   -1.19874900    0.21300000
 N                 -1.58056700   -0.72188000    1.37020200
 C                  1.08522000   -1.46434400   -0.91917400
 H                  1.14546900   -2.54784500   -1.05282400
 H                  0.60274600   -1.03470600   -1.80086700
 C                  2.44547300   -0.87340200   -0.66795200
 C                  2.62789400    0.51451600   -0.76130900
 C                  3.49063400   -1.69910400   -0.28096800
 C                  3.88105100    1.05374800   -0.47536800
 H                  1.80258000    1.15102700   -1.05793600
 C                  4.76306000   -1.16596100    0.00518900
 H                  3.36818600   -2.77500500   -0.20591200
 C                  4.96412400    0.21896900   -0.09988300
 O                  6.17665600    0.78506600    0.18594100
 O                  4.18056700    2.37574900   -0.53500200
 O                  5.68879600   -2.09070900    0.34592300
 C                  3.15739700    3.28053500   -0.92287800
 H                  2.31485000    3.25240700   -0.21983000
 H                  3.61313500    4.27079200   -0.90273200
 H                  2.79534300    3.06438100   -1.93606800
 C                  6.92918000    1.21606400   -0.95658100
 H                  6.39095800    1.98997000   -1.51065300
 H                  7.86128200    1.62566700   -0.56399800
 H                  7.14778100    0.36781600   -1.61733500
 C                  6.91075900   -1.74688200    1.01012600
 H                  7.30271500   -2.69803300    1.37497500
 H                  7.62894100   -1.29426200    0.32246400
 H                  6.73255000   -1.06804500    1.84711300
 C                 -2.99789500   -0.33330200    1.29001700
 H                 -4.15650500   -0.87209600    0.60458100
 H                 -3.54136900   -1.06203000    1.91767500
 C                 -3.30034900    1.07740900    1.78747000
 H                 -4.37784900    1.24413200    1.67909100
 H                 -3.09791500    1.08591700    2.86986600
 C                 -2.51359600    2.20584500    1.11471700
 H                 -1.43819200    2.01029400    1.20956200
 H                 -2.73813700    2.20667500    0.03755400
 C                 -2.84926500    3.57460600    1.71160900
 H                 -2.60308300    3.61231800    2.77877100
 H                 -2.28606200    4.36737000    1.21042200
 H                 -3.91570500    3.80217600    1.60482600
 Pd                -2.86573100   -0.38044200   -0.75543900
 C                 -5.72824800   -0.38399900   -0.69815400
 O                 -5.51902000   -0.93581300    0.43988200
 O                 -4.78595100    0.04539200   -1.42782400
 C                 -7.14779700   -0.27316300   -1.17838500
 H                 -7.82397400   -0.13210200   -0.33345800
 H                 -7.24138400    0.54093800   -1.89782000
 H                 -7.41600800   -1.21275900   -1.67568300
 H                 -0.75906200   -1.00039400    3.37344600
 H                  1.50724700   -1.57897000    1.85958000

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



