%nprocshared=20
%mem=44GB
%oldchk=Pd_reag.chk
%chk=Pd_r7_int_scan_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_r7_int_scan_ts_SP

1 1
 C                  1.98958500    0.75159300    0.29163700
 C                  3.44160900    2.41357800   -0.16896800
 C                  2.61827700    2.85201500    0.82324000
 N                  1.73274400    1.81383400    1.08351200
 N                  3.03817200    1.11934100   -0.47623500
 C                  0.55873500    1.82478900    1.97391000
 H                  0.80461300    1.29452600    2.89828900
 H                  0.34080700    2.86610600    2.22056400
 C                 -0.60939200    1.17479200    1.26108300
 C                 -1.36959500    1.91445900    0.36906400
 C                 -0.84460600   -0.21428500    1.42087400
 C                 -2.40365400    1.29064200   -0.35385100
 H                 -1.15288300    2.96471700    0.21701400
 C                 -1.95079700   -0.82369300    0.75503100
 H                 -0.44183000   -0.74285800    2.28316900
 C                 -2.70247700   -0.07835000   -0.16607600
 O                 -3.72287400   -0.65728700   -0.86270300
 O                 -3.18587500    1.92252200   -1.24621700
 O                 -2.23293200   -2.07721500    1.14303300
 C                 -2.99026100    3.31743800   -1.47988300
 H                 -1.98819600    3.51152900   -1.87891800
 H                 -3.73835900    3.59594300   -2.22140400
 H                 -3.14652300    3.89640700   -0.56276600
 C                 -5.04422500   -0.32124200   -0.40457900
 H                 -5.23309500    0.75002600   -0.51240200
 H                 -5.73088900   -0.88157300   -1.04028700
 H                 -5.17546700   -0.62326300    0.64124200
 C                 -2.74747000   -3.04805600    0.21613500
 H                 -2.53277400   -4.01408300    0.67516200
 H                 -3.82112000   -2.93247000    0.06740800
 H                 -2.23182700   -2.96441600   -0.74502300
 C                  3.44115100    0.32344400   -1.64058100
 H                  2.61918300    0.36262700   -2.36193300
 H                  4.30883900    0.80722300   -2.09463500
 C                  3.78042300   -1.14151100   -1.30692400
 H                  3.81332900   -1.67490000   -2.26344900
 H                  4.79337500   -1.17634800   -0.89185000
 C                  2.88334100   -1.89463700   -0.33124000
 H                  3.30540100   -1.99328300    0.66742100
 C                  1.93792700   -2.88139000   -0.69260500
 H                  1.79608100   -3.74272300   -0.04894700
 H                  1.67903600   -3.03180700   -1.73752600
 Pd                 0.96614700   -1.02826400    0.13502700
 H                  4.25818200    2.90319600   -0.67617500
 H                  2.59245900    3.78744600    1.36000000
 H                  0.24449900   -2.45576800   -0.12764000

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










