%nprocshared=18
%mem=46GB
%chk=Pd_prdt_ring6.chk
#p opt=noeigentest freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring4_NHC

1 1
 C                  1.77914900    1.17409700   -0.14249900
 C                  3.21826500    2.82163900   -0.65487100
 C                  2.05272500    3.39933300   -0.27107200
 H                  4.14637600    3.25935000   -0.98830600
 H                  1.77282200    4.43810800   -0.18946900
 N                  3.03678500    1.44758700   -0.57564200
 N                  1.17155200    2.37097600    0.03291500
 C                 -0.20141000    2.62363200    0.51088300
 H                 -0.14334600    2.83788300    1.58593600
 H                 -0.54090900    3.53748300    0.01478800
 C                 -1.16872100    1.49068000    0.26246600
 C                 -0.74974800    0.18735500    0.13095600
 C                 -2.55774500    1.72039100    0.27843700
 C                 -1.63285900   -0.88643000    0.04957100
 C                 -3.46519100    0.65861100    0.18432500
 H                 -2.92798200    2.73295900    0.39436800
 C                 -3.01257800   -0.69021400    0.06616900
 O                 -3.84852200   -1.76422600    0.07517200
 O                 -0.94697900   -2.10006700    0.07407800
 O                 -4.81170100    0.80500100    0.23546200
 C                 -1.36238800   -3.15548000   -0.82215600
 H                 -1.42906700   -2.77812600   -1.84837400
 H                 -0.58971700   -3.92202100   -0.75433000
 H                 -2.32291100   -3.55459100   -0.49814400
 C                 -4.84570800   -1.85652400   -0.96121400
 H                 -5.30979500   -2.83494400   -0.82929200
 H                 -5.59403300   -1.07002700   -0.85946000
 H                 -4.37639500   -1.80139800   -1.95112200
 C                 -5.36141800    2.10368600    0.44427700
 H                 -6.44188400    1.96272100    0.48010700
 H                 -5.01694900    2.52990200    1.39405800
 H                 -5.10840000    2.78058400   -0.38086200
 C                  4.02407400    0.46825900   -1.07574800
 H                  4.83890100    1.06428900   -1.49273100
 Pd                 3.04681492   -0.28038330   -0.55697019
 C                  4.58819900   -0.51253600   -0.03914900
 H                  5.02745684    0.04275205    0.79868464
 H                  5.41807414   -1.03247400   -0.53504971
 C                  3.60688990   -1.57333880    0.47968323
 H                  3.07484029   -2.02806499   -0.36989296
 C                  4.28387492   -2.67874868    1.30188075
 H                  4.80763743   -2.26025180    2.16793285
 H                  3.55107460   -3.40394811    1.66874672
 H                  5.01575743   -3.21775136    0.69056284
 H                  2.86686535   -1.08833318    1.15661594
 H                  0.30100498   -0.01034671    0.08933615

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



