%nprocshared=20
%mem=44GB
%oldchk=Pd_prdt_ring6.chk
%chk=Pd_prdt_ring6_SP_1.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring6_SP

1 1
 C                 -2.19435000    0.44320500    0.37345400
 C                 -4.06894800    1.67084200    0.19252600
 C                 -3.18644600    2.38508300    0.94088400
 H                 -5.07280200    1.90096500   -0.12853900
 H                 -3.26988700    3.35921500    1.39677600
 N                 -3.43714700    0.48262600   -0.15030900
 N                 -2.03580300    1.61540200    1.03771800
 C                 -0.81717800    1.97318200    1.79223800
 H                 -0.75033400    3.06374800    1.79368100
 H                 -0.94001100    1.63615700    2.82568600
 C                  0.41426700    1.35681400    1.16799100
 C                  0.91515300    0.14065700    1.66348600
 C                  1.02309600    1.97067800    0.06865300
 C                  2.04072400   -0.47116700    1.05394100
 H                  0.55479200   -0.28154300    2.59683500
 C                  2.11176000    1.35548900   -0.55643900
 H                  0.61923900    2.89820800   -0.31724800
 C                  2.62647900    0.11970800   -0.07909500
 O                  3.60322000   -0.54485000   -0.75721900
 O                  2.41160600   -1.64637400    1.60909000
 O                  2.71838200    1.83549400   -1.66220000
 C                  3.77527100   -2.09753000    1.56101100
 H                  4.45999100   -1.27730700    1.79954800
 H                  3.84379000   -2.86456600    2.33334100
 H                  4.02032600   -2.51607700    0.58498100
 C                  4.89904500    0.07665500   -0.83453500
 H                  5.54354700   -0.65223700   -1.32698600
 H                  4.85898900    0.99692500   -1.41865300
 H                  5.28151300    0.28689700    0.17131100
 C                  2.24617300    3.05475800   -2.23227900
 H                  2.87937300    3.23660000   -3.10023400
 H                  1.20211900    2.95928300   -2.55257500
 H                  2.34406800    3.88550800   -1.52411000
 C                 -4.05968700   -0.61291400   -0.91197700
 H                 -4.81102800   -0.16276400   -1.56494900
 H                 -4.57699200   -1.26997200   -0.20359900
 Pd                -0.78136900   -0.91746400    0.20209500
 C                 -3.04111900   -1.40476200   -1.72996900
 H                 -2.55228200   -0.74627800   -2.45717600
 H                 -3.61163100   -2.14873200   -2.30645300
 C                 -2.00884600   -2.11645200   -0.87758000
 H                 -2.49127000   -2.74789100   -0.12062300
 C                 -0.90077800   -2.84756100   -1.61389200
 H                 -0.60991400   -2.33780300   -2.53668900
 H                  0.00887600   -2.95528900   -0.98666000
 H                 -1.19021000   -3.88016900   -1.85376600

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






















