%nprocshared=24
%mem=105GB
%chk=Pd_TS_ring4_bz_TS_Calc_1_2.chk
#p opt=(calcfc,ts,noeigentest) freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_TS_ring4_bz_TS_Calc_1_2

1 1
 C                  2.10966400    0.75730200   -1.08299200
 C                  1.90847100    2.91861300   -1.64336700
 C                  0.70194100    2.33962200   -1.87854600
 N                  0.85595100    1.00187500   -1.52722900
 N                  2.76495200    1.93283000   -1.14475000
 C                 -0.11449300   -0.07499400   -1.43776700
 H                 -0.17968200   -0.62991200   -2.37476300
 H                 -0.05668621   -1.19453684   -0.67985252
 C                 -1.38393400    0.25827400   -0.82728000
 C                 -2.51884400   -0.50769000   -1.16705400
 C                 -1.49235900    1.25199000    0.17440200
 C                 -3.74558100   -0.26960900   -0.56753200
 H                 -2.41215500   -1.30876300   -1.88557300
 C                 -2.70465200    1.52047200    0.76120100
 H                 -0.63710400    1.82485800    0.51036000
 C                 -3.87256500    0.79645100    0.37254600
 O                 -4.99023000    1.18023000    0.98402500
 O                 -4.86323600   -0.99509900   -0.80485100
 O                 -2.78581700    2.53612500    1.65356700
 C                 -4.77232000   -2.11104200   -1.69143900
 H                 -4.04095100   -2.84025500   -1.32508700
 H                 -5.76687200   -2.55592800   -1.70448600
 H                 -4.50087300   -1.78727200   -2.70297200
 C                 -6.32110200    0.87734200    0.51980400
 H                 -6.57291800   -0.16336800    0.71940700
 H                 -6.96412700    1.54392200    1.09410500
 H                 -6.41245600    1.08645500   -0.54812400
 C                 -3.36224100    2.26085200    2.94471200
 H                 -2.80237000    2.86412500    3.66215600
 H                 -4.41647900    2.54434900    2.95859700
 H                 -3.26202900    1.20142200    3.20007300
 C                  4.19455700    2.14188200   -0.85253600
 H                  4.77230400    1.50768100   -1.53262900
 H                  4.39460900    3.18005100   -1.12758100
 C                  4.63776900    1.91119300    0.59397000
 H                  5.67273900    2.27523500    0.63554400
 H                  4.05618300    2.55438600    1.26591800
 C                  4.63358200    0.46308300    1.10603300
 H                  3.60162500    0.16920500    1.37207700
 H                  4.99196100   -0.20439900    0.30247600
 C                  5.51360400    0.26353600    2.34445100
 H                  5.21629300    0.94742500    3.14707400
 H                  5.43076400   -0.75948900    2.72283800
 H                  6.56566800    0.45559600    2.10759900
 Pd                 1.72497610   -0.82526196   -0.43617504
 C                  0.62494789   -2.92374947    0.48773105
 O                  1.85412689   -2.57609947    0.60004705
 O                 -0.25094311   -2.26021847   -0.12890695
 C                  0.21161089   -4.21337547    1.16131205
 H                  1.07444789   -4.73477447    1.57451105
 H                 -0.50206411   -3.98438347    1.95954505
 H                 -0.30386811   -4.85344247    0.43848805
 H                  2.25155400    3.92475200   -1.82781100
 H                 -0.21729900    2.74344900   -2.27097900

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












