%nprocshared=35
%mem=100GB
%chk=Pd_prdt_ring_MeO_AcOH_1.chk
#p opt freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring_MeO_AcOH_1

1 1
 C                 -1.33652600    1.49596800   -0.75735500
 C                 -2.48359200    3.40809700   -0.32065700
 C                 -1.27251400    3.77146600   -0.81148800
 H                 -3.32184300    4.00158200    0.00911700
 H                 -0.84857700    4.74351700   -1.00902300
 N                 -2.50378600    2.02091200   -0.30101500
 N                 -0.58700500    2.59295000   -1.06725500
 C                  0.76016800    2.55070200   -1.65165600
 H                  0.67030800    2.33216800   -2.72235700
 H                  1.19130500    3.54811300   -1.54702200
 C                  1.63701300    1.52212000   -0.98611200
 C                  2.65940900    1.86622800   -0.15116800
 C                  1.37124500    0.13503900   -1.25335700
 C                  3.51613300    0.87562300    0.42863700
 H                  2.88497400    2.90020800    0.08792400
 C                  2.19312700   -0.84885200   -0.60029200
 H                  1.12767900   -0.12101800   -2.29593900
 C                  3.27802000   -0.49924400    0.21488000
 O                  3.99079500   -1.45040800    0.88650900
 O                  4.46786700    1.40207500    1.19509600
 O                  1.87550000   -2.13406200   -0.78768500
 C                  5.55373300    0.64353200    1.76307200
 H                  6.10775200    0.12020600    0.97998300
 H                  6.19032300    1.39538300    2.22933200
 H                  5.18861300   -0.06695200    2.50340000
 C                  4.75500000   -2.35599300    0.07289600
 H                  5.24998800   -3.03388800    0.76927500
 H                  4.10372000   -2.92174400   -0.59752200
 H                  5.50750200   -1.80852800   -0.50845700
 C                  0.43292400   -2.30645400   -0.69958200
 H                  0.22057100   -2.61638700    0.32846400
 H                  0.15374400   -3.07499900   -1.42239200
 C                 -3.60911100    1.24657900    0.26806400
 H                 -3.55170700    0.25089700   -0.16869100
 H                 -4.54134600    1.71007800   -0.06926400
 Pd                -0.58636500   -0.50588300   -0.81719400
 C                 -3.55751300    1.19023500    1.79914500
 H                 -4.44157500    0.63172600    2.13573100
 H                 -3.66743900    2.20574200    2.20276800
 C                 -2.28831900    0.54734400    2.36809800
 H                 -1.41135800    1.12114700    2.04443800
 C                 -2.31190000    0.46657800    3.89658400
 H                 -3.16012400   -0.13150400    4.25072000
 H                 -1.39494000    0.00904100    4.28240900
 H                 -2.40150500    1.46316900    4.34427200
 H                 -2.16257600   -0.45772500    1.94513700
 C                 -2.88020178   -2.52700961   -0.13018080
 C                 -4.15215578   -3.27096761   -0.43832380
 H                 -4.60072378   -2.87038261   -1.34686780
 H                 -3.94525478   -4.33855261   -0.57733680
 H                 -4.86022278   -3.17019061    0.39289320
 O                 -2.47528178   -1.59395561   -0.80974980
 O                 -2.18137378   -2.90552061    0.94749620
 H                 -1.39957923   -2.39235862    1.21723710

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









