%nprocshared=20
%mem=44GB
%oldchk=Pd_reag.chk
%chk=Pd_TS_ringbz_TS_AcOH_SP_1.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_TS_ringbz_TS_AcOH_SP

1 1
 C                 -1.68062500   -1.52702000   -0.01393900
 C                 -2.81970300   -3.43202600   -0.35477900
 C                 -1.80543700   -3.70851600    0.50918100
 N                 -1.11786400   -2.52081000    0.70249800
 N                 -2.72578700   -2.08150100   -0.66973700
 C                  0.05903900   -2.29690400    1.55539300
 H                 -0.27847600   -1.80770700    2.47601000
 H                  0.46579200   -3.27428000    1.82028700
 C                  1.08456400   -1.46417800    0.81929700
 C                  2.41827400   -1.88024100    0.79468300
 C                  0.69755000   -0.30932400    0.13624800
 C                  3.36142800   -1.17124300    0.04463300
 H                  2.70933800   -2.77456100    1.33203100
 C                  1.62994100    0.38260300   -0.66624500
 H                  0.96463400    1.36853200    1.39837700
 C                  2.97283500   -0.03430000   -0.70159000
 O                  3.84594000    0.59086200   -1.54341700
 O                  4.66183700   -1.52714300   -0.07484800
 O                  1.12698700    1.41475200   -1.39566600
 C                  5.11363800   -2.70108300    0.59336100
 H                  4.58131500   -3.58927400    0.23306200
 H                  6.17259200   -2.78835900    0.35067400
 H                  4.99206700   -2.61123800    1.67958300
 C                  4.97819900    1.24015300   -0.94395600
 H                  5.64836400    0.51475900   -0.48040500
 H                  5.48916900    1.75319000   -1.75987300
 H                  4.64927100    1.97341800   -0.19664300
 C                  1.91533800    2.57938800   -1.67340400
 H                  1.19071800    3.35457400   -1.93134200
 H                  2.48236400    2.88526800   -0.78680400
 H                  2.59756000    2.40869600   -2.50545000
 C                 -3.60789900   -1.36057500   -1.60031400
 H                 -2.97135800   -0.85199400   -2.33105800
 H                 -4.18180800   -2.12128500   -2.13373700
 C                 -4.55283300   -0.36429700   -0.91869900
 H                 -5.27611900   -0.04517100   -1.67940200
 H                 -5.12543300   -0.87718700   -0.13635700
 C                 -3.87568900    0.88545800   -0.34401300
 H                 -3.25180000    0.58826600    0.53021600
 H                 -3.23271800    1.33914000   -1.11214900
 C                 -4.85975200    1.93944200    0.17202900
 H                 -5.50229900    1.52775700    0.95747000
 H                 -4.32391300    2.79958800    0.58417400
 H                 -5.50174800    2.29613800   -0.64027000
 Pd                -1.19513500    0.36840100    0.11340200
 C                  0.00367500    2.99070100    1.18386400
 O                 -0.88854900    2.47278300    0.50254300
 O                  1.01621700    2.31199300    1.69475600
 C                  0.03433400    4.45595500    1.49206100
 H                  0.14601200    4.60735400    2.56984500
 H                  0.90694800    4.90784100    1.00790100
 H                 -0.87611900    4.93356600    1.13159400
 H                 -3.57871600   -4.06781500   -0.78251100
 H                 -1.51457700   -4.62941000    0.98915000

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



















