%mem=20GB
%nProcShared=12
#P B3LYP/GenECP empiricaldispersion=gd3bj OPT=(MaxCycle=100) Freq

geom

1 1
 C          1.8615647820       -0.9729375854        0.1537341105
 N          1.3523041216       -2.2255798946       -0.0458330269
 C          2.3566395744       -3.1935105240        0.1275719055
 C          3.4960631819       -2.5305389158        0.4477305097
 N          3.1780915413       -1.1653842757        0.4696320063
 C          4.1418911807       -0.0972557705        0.8357400232
 H          4.8899629304       -0.5577768963        1.4849710515
 C          4.8191186358        0.5376982999       -0.3924040800
 C          3.8430490822        1.2525968637       -1.3498411826
 C          3.0613543764        2.3953053822       -0.6713290480
 H          3.7352236694        3.1943875263       -0.3416559885
 H          2.5624892981        2.0708436080        0.2728108454
 H          2.3203962816        2.8326220319       -1.3470932782
 H          3.1473319422        0.5233234040       -1.7790802306
 H          4.4175082181        1.6725466435       -2.1824236637
 H          5.3611340129       -0.2416373880       -0.9393113755
 H          5.5586322177        1.2565622008       -0.0186134914
 H          3.5977036997        0.6419064926        1.4261376883
 H          4.4808077451       -2.8946316825        0.6751089180
 H          2.1644817914       -4.2447115286        0.0176005857
 C         -0.0343753531       -2.6172179425       -0.4222423404
 C         -1.0737864515       -1.5533682191       -0.1587609055
 C         -0.7419235098       -0.2346967956        0.0060068721
 C         -1.6939180803        0.7691487628        0.1014663883
 C         -3.0496064917        0.4990967661        0.1009824757
 C         -3.4173389816       -0.8732627740       -0.0260944193
 C         -2.4476750904       -1.8676428131       -0.1719961353
 H         -2.7531642317       -2.8982916608       -0.2925386719
 O         -4.7736358809       -1.1108164668       -0.0015202385
 C         -5.2425982272       -2.4960060664       -0.1031855938
 H         -4.8536483531       -3.1013821118        0.7221861544
 H         -6.3267304360       -2.4265155517       -0.0350475531
 H         -4.9547437695       -2.9410185653       -1.0618449556
 O         -3.9556000055        1.5300449054        0.2629790680
 C         -5.0029390030        1.6699671512       -0.7870829316
 H         -4.5358546817        1.8742105890       -1.7553710184
 H         -5.5991047991        2.5219454369       -0.4648017448
 H         -5.6001596635        0.7620996422       -0.8285918699
 O         -1.0493316045        2.0470135788        0.1364156378
 C         -1.5291738925        2.9838448122        1.2057594989
 H         -1.2278363004        2.5997292543        2.1838787976
 H         -2.6123935035        3.0414033342        1.1229523333
 H         -1.0488877718        3.9357331662        0.9884462633
 PD         0.9247862589        0.7782808251        0.0421608808
 H         -0.2675384217       -3.5243296151        0.1424231665
 H         -0.0257028954       -2.8630521519       -1.4907015551

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


