%nprocshared=18
%mem=40GB
%chk=Pd_reag.chk
#p opt=noeigentest freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_reag_Pd_H

1 1
 C                  1.95355952   -1.72296733   -0.07497792
 C                  3.58232470   -3.15482877   -0.59101055
 C                  2.39747407   -3.85124424   -0.50641559
 N                  1.33076661   -2.89267898   -0.11577727
 N                  3.28003595   -1.78322711   -0.18031029
 C                 -0.09171949   -3.19592063    0.13454598
 H                 -0.38751571   -4.01015040   -0.49220235
 H                 -0.22690348   -3.46710523    1.16225433
 C                 -0.95915664   -1.96211176   -0.17772253
 C                 -2.14724736   -1.80450116    0.46447655
 C                 -0.52658448   -1.01257154   -1.11558367
 C                 -2.96404836   -0.69683496    0.19388091
 H                 -2.46139764   -2.53212532    1.18249232
 C                 -1.31708665    0.11314071   -1.38189306
 H                  0.40630492   -1.14473661   -1.62331099
 C                 -2.54962857    0.26410576   -0.73503562
 O                 -3.38004198    1.39364811   -1.02006571
 O                 -4.10846444   -0.56206440    0.80340022
 O                 -0.90894770    1.01445945   -2.22403325
 C                 -4.56203536   -1.56019126    1.72317242
 H                 -3.72004039   -2.03655333    2.17896583
 H                 -5.16426020   -1.10049407    2.47937908
 H                 -5.14429008   -2.28931996    1.19907142
 C                 -4.27714287    1.07226586   -2.08950608
 H                 -4.90145815    0.25303188   -1.79880954
 H                 -4.88696860    1.92341615   -2.31118177
 H                 -3.71406783    0.80078199   -2.95770325
 C                 -1.69168719    2.19280063   -2.43036901
 H                 -1.04759181    3.00762818   -2.68675185
 H                 -2.38748837    2.02489880   -3.22478512
 H                 -2.22474026    2.42810396   -1.53310729
 C                  4.24573688   -0.57600897    0.13211148
 H                  3.99569745   -0.22076722    1.10958040
 H                  5.23477728   -0.98674408    0.11474616
 C                  4.22578076    0.77933829   -0.80224052
 H                  5.01581184    1.42395899   -0.48050921
 H                  4.36872304    0.52414285   -1.83102963
 C                  2.85181020    1.54321044   -0.59722291
 H                  2.49718893    1.14657613   -1.52633992
 C                  2.52131026    2.94226411   -1.14006279
 H                  2.54689781    2.92421208   -2.20891369
 H                  1.54547206    3.23003194   -0.81165661
 H                  3.24078012    3.64432251   -0.77855857
 Pd                 1.59610035    0.16900095   -0.02055836
 C                  0.41060112    2.09698275    2.03572566
 O                  1.46326425    1.41538537    1.92927743
 O                 -0.61089064    1.78389071    1.37025005
 C                  0.37278582    3.31365607    2.97863453
 H                  1.34901223    3.74723131    3.04054831
 H                 -0.31580305    4.03869239    2.59754192
 H                  0.05881028    3.00038041    3.95203810
 H                  4.53766606   -3.54165111   -0.88018610
 H                  2.26591883   -4.89668933   -0.68835906
 H                  2.23361260    0.22481549    1.42403946

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






