%nprocshared=35
%mem=100GB
%chk=Pd_prdt_ring_MeO_AcOH_1_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring_MeO_AcOH_1_SP

1 1
 C                 -1.45903400    1.25998600   -0.77193000
 C                 -3.05316600    2.86810600   -0.59494500
 C                 -1.85944700    3.50009900   -0.71029500
 H                 -4.05253000    3.25868500   -0.48562500
 H                 -1.61136400    4.54971500   -0.73516000
 N                 -2.78870800    1.50784300   -0.63721600
 N                 -0.89838700    2.50530300   -0.81174300
 C                  0.51027000    2.81799800   -1.09281500
 H                  0.63016500    2.91457000   -2.17949200
 H                  0.71959800    3.79301900   -0.64788000
 C                  1.47721900    1.79182600   -0.56825300
 C                  2.35949600    2.08617300    0.42931400
 C                  1.49122100    0.48529900   -1.17404200
 C                  3.35079800    1.14363100    0.85606500
 H                  2.37122500    3.05377200    0.91972400
 C                  2.44480700   -0.47668400   -0.67141800
 H                  1.37294700    0.45267000   -2.26600000
 C                  3.39096300   -0.15902600    0.30947600
 O                  4.21913200   -1.11164600    0.82571300
 O                  4.13207200    1.61778500    1.81839300
 O                  2.37817500   -1.71789100   -1.16363900
 C                  5.30036700    0.93632500    2.32232600
 H                  5.99527200    0.71645700    1.50869400
 H                  5.74816800    1.65042100    3.01287800
 H                  5.02185200    0.01911100    2.83885300
 C                  5.19446700   -1.66120900   -0.07821300
 H                  5.75802400   -2.39079000    0.50412500
 H                  4.70784100   -2.15481600   -0.92262600
 H                  5.86820700   -0.87424500   -0.43881600
 C                  0.98502000   -2.14715800   -1.21388200
 H                  0.84318100   -2.80260300   -0.34832100
 H                  0.83884300   -2.69428100   -2.14689200
 C                 -3.84274900    0.49624400   -0.50079200
 H                 -3.38263200   -0.46645500   -0.71298100
 H                 -4.59015800    0.68825400   -1.27742800
 Pd                -0.32994600   -0.55140100   -0.97850400
 C                 -4.49102800    0.51669600    0.88758300
 H                 -5.25715900   -0.26936400    0.90246700
 H                 -5.02913700    1.46352300    1.02859200
 C                 -3.50955800    0.31519600    2.04620600
 H                 -2.74379600    1.10103000    2.01449500
 C                 -4.20602500    0.33102600    3.40919200
 H                 -4.95818900   -0.46338400    3.47945100
 H                 -3.48839400    0.18541500    4.22293000
 H                 -4.71622100    1.28598600    3.57986400
 H                 -2.97688000   -0.63560900    1.91845500
 C                 -2.03034800   -2.73357500    0.28893100
 C                 -3.00554400   -3.84831300    0.50033900
 H                 -3.47402400   -4.11828300   -0.44559700
 H                 -2.49879900   -4.71212400    0.93985500
 H                 -3.77140700   -3.52120800    1.21300100
 O                 -1.94453500   -2.09625800   -0.76584100
 O                 -1.27597400   -2.46602200    1.34949400
 H                 -0.69478000   -1.70060500    1.12728600

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









