%nprocshared=24
%mem=95GB
%oldchk=Pd_reag.chk
%chk=Pd_prdt_ring5_3_to_ringbz_modre_1_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring5_3_to_ringbz_modre_1_SP

1 1
 C                  1.87221000    1.29485000    0.06122800
 C                  3.38903800    2.89650600    0.29981200
 C                  2.17403100    3.48498400    0.08997800
 N                  1.23222600    2.47221100   -0.06570100
 N                  3.17813900    1.52995600    0.26929600
 C                 -0.19013900    2.71622300   -0.41325000
 H                 -0.52053400    3.54811700    0.21500300
 H                 -0.19430300    3.06861800   -1.45187700
 C                 -1.12707000    1.53220600   -0.25746000
 C                 -2.51035600    1.76304300   -0.20292300
 C                 -0.67210300    0.22440900   -0.21158500
 C                 -3.40122100    0.68254300   -0.11413100
 H                 -2.89615500    2.77607700   -0.23143800
 C                 -1.55199800   -0.84565200   -0.08745900
 C                 -2.92646100   -0.65991400   -0.02582000
 O                 -3.77591000   -1.72100800    0.06181300
 O                 -4.74525100    0.80681600   -0.08264400
 O                 -0.88976000   -2.06405400    0.05838700
 C                 -5.32174400    2.10598200   -0.19087800
 H                 -5.03243000    2.58621200   -1.13274400
 H                 -6.40022400    1.95061500   -0.17565000
 H                 -5.02971700    2.73977500    0.65499600
 C                 -4.51867500   -1.83628700    1.28903900
 H                 -5.19888400   -0.99098100    1.41345000
 H                 -5.08794800   -2.76234700    1.20255800
 H                 -3.83432400   -1.90063200    2.14284400
 C                 -1.26383700   -3.12474100   -0.84814900
 H                 -0.60181500   -3.95994500   -0.61750800
 H                 -2.30559100   -3.40101200   -0.68547800
 H                 -1.11702400   -2.80065200   -1.88461400
 C                  4.10419800    0.37419600    0.34719100
 H                  4.69003500    0.37106000   -0.57786300
 H                  4.78868500    0.55509000    1.18273400
 C                  3.28587600   -0.91986400    0.48982800
 H                  3.18126100   -1.16385900    1.55942400
 C                  3.87613300   -2.11144100   -0.25605100
 H                  4.04713800   -1.83974400   -1.30631000
 H                  4.86254900   -2.37613900    0.15655000
 C                  2.96335300   -3.34009200   -0.19202400
 H                  1.99848200   -3.14155000   -0.68240100
 H                  3.41255300   -4.19967300   -0.69899500
 H                  2.75929300   -3.63092100    0.84516900
 Pd                 1.22123500   -0.49149100    0.01392100
 H                  4.36043900    3.33122100    0.47566600
 H                  1.89539900    4.52651000    0.04865100
 H                  1.37371500   -0.28814400   -1.48223800

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

























