%chk=sp_triplet_EDA_reac_a_reac_b_solvent.chk
%mem=20GB
%nprocshared=12
#p ub3lyp scrf=(smd,solvent=dichloroethane) pop=(full,nbo)
def2tzvpp empiricaldispersion=gd3bj gfinput iop(6/7=3)
scf=(save)

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1 3
 C                  2.49352100    1.48409700   -0.05167900
 C                  1.67321400    0.52788900    0.65704000
 H                  2.79983000    3.55782300   -0.49266100
 C                  2.17980600    2.83675200    0.04362400
 C                  0.57247600    0.99804400    1.43940000
 C                  0.29615500    2.34369900    1.50644900
 C                  1.09911800    3.27525400    0.80766800
 H                 -0.06326500    0.29415600    1.96975900
 H                 -0.55456700    2.69185100    2.09471000
 H                  0.86912100    4.34112300    0.86641500
 N                  1.95600900   -0.80440200    0.58354800
 C                  1.28379600   -1.79183400    1.44805200
 H                  0.21161900   -1.56746400    1.45647900
 H                  1.41573500   -2.76096300    0.95946500
 C                  1.87054900   -1.81787800    2.85470200
 H                  1.74698900   -0.85255400    3.36836700
 H                  1.35402700   -2.59093000    3.44392700
 H                  2.94187100   -2.06652300    2.82505100
 C                  3.47869000   -0.39526100   -1.35173200
 H                  2.69470400   -0.36686600   -2.12629500
 H                  4.39307300   -0.82506700   -1.77763600
 C                  3.69365400    1.00847500   -0.80231500
 H                  3.93688800    1.71291400   -1.60929400
 H                  4.55524900    1.01252700   -0.10810800
 C                  2.97035700   -1.33650800   -0.30626300
 O                  3.31333000   -2.48328200   -0.17183200
 C                 -1.96260700    0.95143400   -0.88213700
 C                 -3.19213700    1.03348200   -0.28524900
 C                 -3.23461800   -1.33705500    0.06597700
 C                 -2.00665500   -1.47489900   -0.52523300
 C                 -1.33864200   -0.31877400   -1.01123000
 H                 -1.46223200    1.84705900   -1.24211400
 H                 -3.74099200    1.96233300   -0.13048600
 H                 -3.81394400   -2.16307000    0.47804100
 H                 -1.54515900   -2.45570000   -0.61461100
 N                 -3.80131700   -0.10044100    0.16850900
 O                 -5.00011900    0.01816000    0.82270300
 C                 -6.11463600   -0.12117100   -0.08038800
 H                 -6.10830200   -1.11495600   -0.55552200
 H                 -7.00481300   -0.01286700    0.55239000
 H                 -6.09735200    0.67052800   -0.84633900
 N                 -0.07609600   -0.42476600   -1.58185800
 O                  0.50630500    0.62572100   -1.98160900
 O                  0.47412100   -1.56066800   -1.65214300



