%nprocshared=12
%mem=22GB
%chk=Pd_prdt_ring6.chk
#p opt=noeigentest freq b3lyp genecp empiricaldispersion=GD3BJ

Pd_prdt_ring6

1 1
 C                  0.45012481   -0.47657043    0.01403308
 C                  3.01794458    0.22724580    0.01402942
 C                  3.01805810   -1.17997235    0.01402941
 H                  3.82004056    0.93544212    0.01403096
 H                  3.82026833   -1.88803925    0.01403067
 N                  1.48341794    0.41892472    0.01403162
 N                  1.48356241   -1.37189885    0.01403160
 C                  1.28186850   -2.21344117    1.20231864
 H                  1.92000769   -3.07040551    1.14495587
 H                  1.51775833   -1.65131580    2.08167697
 C                 -0.18737807   -2.67070882    1.26413129
 C                 -1.01713395   -2.21520546    2.28906704
 C                 -0.68863682   -3.54014197    0.29543433
 C                 -2.34765291   -2.62962695    2.34559894
 H                 -0.62144084   -1.53037542    3.05305432
 C                 -2.01980451   -3.95400646    0.35127926
 H                 -0.03484645   -3.89910640   -0.51254569
 C                 -2.84929222   -3.49902828    1.37620950
 O                 -4.21353959   -3.92369681    1.43439665
 O                 -3.19798780   -2.16344841    3.39655477
 O                 -2.53348796   -4.84494711   -0.64232734
 C                 -2.97627750   -2.94613396    4.57262784
 H                 -2.24409185   -2.46609433    5.18774256
 H                 -3.89289510   -3.04007342    5.11658331
 H                 -2.62595049   -3.91787975    4.29355599
 C                 -4.31008686   -5.11290817    2.22265737
 H                 -4.93182857   -4.92735025    3.07348374
 H                 -4.73668414   -5.89766079    1.63352405
 H                 -3.33398945   -5.40354257    2.55078156
 C                 -2.07217042   -6.17234726   -0.37757274
 H                 -2.88306226   -6.86110600   -0.49144029
 H                 -1.29216209   -6.42278709   -1.06588000
 H                 -1.69610541   -6.22637772    0.62270513
 C                  1.28158756    1.26043414    1.20231878
 H                  1.80767040    2.18396027    1.07888321
 H                  1.65280831    0.75132293    2.06713144
 Pd                -1.01552378   -0.47580610    1.44734171
 C                 -0.22129995    1.54556738    1.38016187
 H                 -0.67903143    1.65840514    0.41961540
 H                 -0.34923664    2.44579325    1.94418811
 C                 -0.88126251    0.37264638    2.12869760
 H                 -0.72529539    0.48812752    3.18095155
 C                 -2.39237784    0.35963971    1.83211495
 H                 -2.59588276    0.98692127    0.98949784
 H                 -2.70480632   -0.64061904    1.61584918
 H                 -2.92637480    0.72357981    2.68493078

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










 



















