%nprocshared=35
%mem=100GB
%chk=Pd_prdt_ring4bz_AcOH_1.chk
#p opt freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring4bz_AcOH_1

1 1
 C                 -2.12392800   -0.63895800   -0.00074900
 C                 -2.64898700   -2.78562600   -0.37239500
 C                 -1.54063000   -2.52324900   -1.12367400
 H                 -3.23489100   -3.68624800   -0.27823400
 H                 -0.96357400   -3.14430300   -1.78956400
 N                 -2.98738100   -1.62058400    0.32220100
 N                 -1.25816400   -1.18888100   -0.87327900
 C                 -0.24814700   -0.18158400   -1.16552400
 H                 -0.62120258    0.12051085   -2.14375070
 C                  1.19754616   -0.15031781   -0.99242661
 C                  1.94524838    0.68018770   -1.83266890
 C                  1.83711723   -0.89042282    0.02200373
 C                  3.33025953    0.79376318   -1.67975308
 H                  1.47074899    1.25236950   -2.62248037
 C                  3.21289252   -0.78281213    0.18332548
 H                  1.24857832   -1.50966390    0.68535913
 C                  3.98069907    0.06231156   -0.66484994
 O                  5.30752768    0.26199786   -0.45100803
 O                  3.93902274    1.66611670   -2.51892121
 O                  3.91810040   -1.41543333    1.15468236
 C                  5.27443439    1.43022084   -2.98163312
 H                  5.41708296    0.37576223   -3.24389554
 H                  5.37687037    2.04157170   -3.88012843
 H                  6.01351043    1.72804264   -2.23703568
 C                  6.18838851   -0.86943291   -0.55729744
 H                  7.19686134   -0.46089458   -0.48182466
 H                  6.01111157   -1.58538387    0.24592494
 H                  6.06225208   -1.35880289   -1.53052167
 C                  3.20939081   -2.22959564    2.08010709
 H                  3.96050115   -2.62069567    2.76656162
 H                  2.47158642   -1.64105836    2.63946513
 H                  2.70625675   -3.06254462    1.57336054
 C                 -4.16306000   -1.45304200    1.18900600
 H                 -4.47770977   -2.45043884    1.50648723
 H                 -4.95863203   -1.03031222    0.56897203
 Pd                -1.20427300    1.13461200    0.17118800
 C                 -3.86880712   -0.55860222    2.39505640
 H                 -3.07704592   -1.02693025    2.99444255
 H                 -4.77039781   -0.54471084    3.02087499
 C                 -3.46806970    0.87325304    2.02713969
 H                 -4.26136232    1.32580518    1.41548947
 C                 -3.21150966    1.74043057    3.26214980
 H                 -2.40222088    1.32451651    3.87381881
 H                 -2.92698359    2.75840572    2.97812086
 H                 -4.10613921    1.80554943    3.89188519
 H                 -2.56616098    0.85326575    1.40118039
 C                 -0.05096700    3.87275400    0.68638300
 O                  0.07457300    2.89142900   -0.03640400
 O                 -1.02034200    3.85546200    1.61077600
 H                 -1.50009444    3.00843207    1.62208873
 C                  0.82335400    5.08934900    0.58656900
 H                  1.33647100    5.26600400    1.53909100
 H                  1.56301400    4.94441900   -0.20020000
 H                  0.21692900    5.97372100    0.35850200

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














