%nprocshared=20
%mem=46GB
%oldchk=Pd_prdt_ring6.chk
%chk=Pd_prdt_ring4_NHC_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring4_NHC_SP

1 1
 C                  1.10461900    1.44498200   -0.07206900
 C                  2.87903800    2.79378700   -0.21368300
 C                  1.92962100    3.39714400    0.57020300
 H                  3.84928300    3.14066500   -0.53286100
 H                  1.91984000    4.37836400    1.01962800
 N                  2.31181400    1.59137700   -0.61281600
 N                  0.83606200    2.53073700    0.66805500
 C                 -0.39685000    2.66413800    1.49056300
 H                 -0.09387300    2.67584100    2.54187100
 H                 -0.86765800    3.62069400    1.25098000
 C                 -1.29790400    1.49665200    1.16551300
 C                 -0.96260000    0.21701500    1.64764400
 C                 -2.30459600    1.63469600    0.21415600
 C                 -1.56793400   -0.92615400    1.09079400
 C                 -2.96605700    0.50546300   -0.29666500
 H                 -2.55367800    2.62099300   -0.15859900
 C                 -2.56193200   -0.79138300    0.09679000
 O                 -3.14147200   -1.91397900   -0.39702800
 O                 -1.11909700   -2.15045000    1.50347100
 O                 -3.97226400    0.55375400   -1.19429900
 C                 -2.07947600   -3.01816100    2.14404300
 H                 -2.87903000   -3.28742700    1.45273900
 H                 -1.51820700   -3.90342100    2.44312200
 H                 -2.49055200   -2.52347300    3.03094000
 C                 -2.99155100   -2.15603500   -1.80638500
 H                 -3.42405000   -3.14102600   -1.98280200
 H                 -3.51861700   -1.40210200   -2.39349000
 H                 -1.92713400   -2.16688600   -2.07378200
 C                 -4.44799400    1.82744000   -1.62865300
 H                 -5.27919200    1.61520800   -2.30036000
 H                 -4.80356400    2.42288900   -0.78031500
 H                 -3.66885100    2.37645000   -2.17065800
 C                  2.62216500    0.20949100   -1.06132700
 H                  2.50364900    0.12006200   -2.14204600
 Pd                 0.80001100   -0.46025400   -0.18217500
 C                  3.87600400   -0.40235900   -0.49266800
 H                  3.94494700   -0.17901600    0.57896700
 H                  4.75360700    0.06218200   -0.97146400
 C                  3.92144000   -1.92113100   -0.71666200
 H                  3.80582300   -2.13482700   -1.78746700
 C                  5.21426000   -2.55146400   -0.19547100
 H                  5.33676500   -2.37121000    0.87868400
 H                  5.21554600   -3.63357600   -0.35696200
 H                  6.08870500   -2.13479600   -0.70804400
 H                  3.05824000   -2.38135200   -0.21143000
 H                 -0.24650100    0.08331600    2.45285100

C H O N
cc-pVTZ
****
@/home/eapaloo/electrocyreact/cc-pVTZ_Pd_Basis_set.gbs/N








