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

Pd_Reagent_SP

1 1
 C                  1.76112500   -1.34269400    0.17905300
 C                  3.59656500   -2.59096300   -0.15454500
 C                  2.52601700   -3.35150300   -0.50341100
 N                  1.40162900   -2.56350200   -0.29472200
 N                  3.10742600   -1.36149700    0.26657600
 C                  0.01554300   -3.00880500   -0.45260800
 H                 -0.05652600   -3.54420300   -1.40700900
 H                 -0.22431500   -3.71595600    0.34726700
 C                 -0.96214100   -1.85592700   -0.43902500
 C                 -2.17298200   -1.98206200    0.21763400
 C                 -0.65104500   -0.65751100   -1.15561800
 C                 -3.12630100   -0.94654400    0.12026400
 H                 -2.37915200   -2.86325900    0.81151200
 C                 -1.65761600    0.36427200   -1.29921000
 H                  0.11565600   -0.67086300   -1.92597300
 C                 -2.88269800    0.22491800   -0.64723100
 O                 -3.82738700    1.20371500   -0.70502600
 O                 -4.31290900   -0.97139700    0.73087000
 O                 -1.28225000    1.38806500   -2.06762200
 C                 -4.66936500   -2.09131000    1.54994700
 H                 -3.96624700   -2.20070600    2.38189700
 H                 -5.66198100   -1.86157200    1.93461200
 H                 -4.70462300   -3.01175300    0.95779700
 C                 -4.96413800    0.91843400   -1.53889800
 H                 -5.51873200    0.05489300   -1.16240000
 H                 -5.59398100    1.80748300   -1.49415500
 H                 -4.64635700    0.73963100   -2.57296400
 C                 -1.80720800    2.72112100   -1.86659400
 H                 -1.09299500    3.37063000   -2.37323300
 H                 -2.79514600    2.82374000   -2.31586100
 H                 -1.84421900    2.94779500   -0.80085800
 C                  3.95350100   -0.22504300    0.67621700
 H                  3.36250800    0.38355600    1.36185000
 H                  4.79434600   -0.64845000    1.23205300
 C                  4.44232300    0.60243200   -0.51589200
 H                  5.16318800    1.33053200   -0.12273400
 H                  5.00020900   -0.04264400   -1.20810300
 C                  3.32926200    1.34114400   -1.26576300
 H                  2.61288000    0.61546100   -1.67325700
 H                  2.76762300    1.95835200   -0.55157500
 C                  3.86751100    2.21402600   -2.40188000
 H                  4.40956500    1.61224200   -3.14055500
 H                  3.05384100    2.72918800   -2.92267800
 H                  4.55788000    2.97563900   -2.02181900
 Pd                 0.50424600    0.13108400    0.54674100
 C                  0.40353300    2.12455500    2.04477700
 O                  1.41044900    1.32511000    2.05382200
 O                 -0.55883500    1.86115800    1.25088700
 C                  0.37133500    3.30870800    2.95892000
 H                  1.34392000    3.80854700    2.95901200
 H                 -0.41593300    4.00100300    2.65522400
 H                  0.17331100    2.96713800    3.98137400
 H                  4.65257500   -2.81090200   -0.16146500
 H                  2.46214200   -4.36708300   -0.86129400

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









