%nprocshared=35
%mem=125GB
%chk=Pd_prdt_ring4_NHC_AcOH_1.chk
#p opt freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring4_NHC_AcOH_1

1 1
 C                  1.41334800    1.50895400    0.55581700
 C                  2.85453200    3.11273700   -0.10522400
 C                  1.84851000    3.69853300    0.61101100
 H                  3.72622300    3.53599700   -0.57847100
 H                  1.69584700    4.72980500    0.88874700
 N                  2.54852800    1.76070200   -0.10251300
 N                  0.95788500    2.69423300    1.00533000
 C                 -0.33548100    2.88784900    1.69572600
 H                 -0.19802800    2.70706900    2.76522300
 H                 -0.61140700    3.93681100    1.55907400
 C                 -1.36313800    1.95156700    1.10926000
 C                 -1.70700300    0.77917600    1.77462000
 C                 -1.86876000    2.19554000   -0.17440200
 C                 -2.49053200   -0.17433800    1.12347300
 C                 -2.67539900    1.25468100   -0.81744100
 H                 -1.61444000    3.12176000   -0.67612500
 C                 -2.94082600    0.01173400   -0.18713200
 O                 -3.64343200   -1.00565500   -0.75700500
 O                 -2.69099300   -1.39258700    1.75836500
 O                 -3.23279600    1.43084900   -2.03992900
 C                 -4.05021200   -1.72140700    2.11969400
 H                 -4.66820100   -1.81109200    1.22482500
 H                 -3.99770400   -2.67400400    2.64799200
 H                 -4.44484100   -0.94843700    2.78521100
 C                 -3.35586300   -1.36757300   -2.11837200
 H                 -3.76094400   -2.37350200   -2.24149900
 H                 -3.83075000   -0.68186600   -2.81918700
 H                 -2.27286900   -1.37926500   -2.29224200
 C                 -2.97244500    2.64520800   -2.73810100
 H                 -3.52228100    2.56929400   -3.67604200
 H                 -3.33374000    3.51056900   -2.17057100
 H                 -1.90189600    2.76001500   -2.94753300
 C                  2.87827500    0.46836100   -0.73364700
 H                  2.73640800    0.51551400   -1.81591300
 Pd                 1.20036900   -0.40749100    0.12187000
 C                  4.17716000   -0.16459600   -0.29604700
 H                  4.23748600   -0.16755700    0.79864200
 H                  5.00105300    0.47755000   -0.65269200
 C                  4.36700400   -1.58252200   -0.84968900
 H                  4.26229400   -1.56056600   -1.94289400
 C                  5.72601300   -2.17437100   -0.47018300
 H                  5.84217100   -2.23108000    0.61852400
 H                  5.83878400   -3.18625100   -0.87155900
 H                  6.54853700   -1.56513600   -0.86265800
 H                  3.56178400   -2.22661400   -0.47633500
 H                 -1.33265200    0.55756400    2.76843500
 C                 -0.11827300   -2.82882600   -0.01114800
 O                  0.85798100   -2.49747400   -0.68280600
 O                 -0.32500500   -2.14418100    1.11818800
 H                  0.42843885   -1.54856405    1.40085578
 C                 -1.08566400   -3.91422700   -0.36700200
 H                 -1.03236800   -4.71669900    0.37723100
 H                 -2.10333300   -3.50717400   -0.34811300
 H                 -0.85651000   -4.31396200   -1.35446400

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









