%chk=triplet_EDA_reac_a_reac_b_solvent.chk
%mem=120GB
%nprocshared=24
#p opt freq=noraman ub3lyp pop=full def2svp scrf=(smd,solvent=dichloroethane)
empiricaldispersion=gd3bj gfinput iop(6/7=3)
scf=(xqc,vshift=150,maxcycle=512)

Title Card Required

1 3
 C                  2.86400300    1.28289400   -0.72318800
 C                  2.50814400    0.46103900    0.41012100
 H                  3.08269600    3.28669700   -1.44661500
 C                  2.81778600    2.66433700   -0.58956100
 C                  2.13336400    1.09289600    1.63833800
 C                  2.09681800    2.46507700    1.72967300
 C                  2.43767100    3.26323300    0.61425000
 H                  1.86100900    0.49007700    2.50076700
 H                  1.79786500    2.93848000    2.66659400
 H                  2.40453500    4.35176200    0.69483000
 N                  2.55192600   -0.89237400    0.30906600
 C                  2.39750400   -1.77239500    1.48037100
 H                  1.54232800   -1.41178000    2.06449700
 H                  2.12991100   -2.75527100    1.08240800
 C                  3.67839500   -1.85958000    2.30587100
 H                  3.98350200   -0.87980900    2.70382700
 H                  3.51659900   -2.54012700    3.15486400
 H                  4.50200400   -2.26407900    1.69977300
 C                  2.58996000   -0.70562900   -2.18424600
 H                  1.51284800   -0.51598100   -2.31863000
 H                  2.96749200   -1.27381200   -3.04274000
 C                  3.31089100    0.62423500   -1.98973400
 H                  3.13943700    1.29287700   -2.84451000
 H                  4.40391000    0.45866800   -1.93715900
 C                  2.70762300   -1.57657300   -0.97150200
 O                  2.89391000   -2.76050400   -0.97019800
 C                 -2.66532000    1.09309100   -0.34501000
 C                 -4.00521800    1.16688700   -0.07769200
 C                 -4.07080100   -1.16714000    0.48645600
 C                 -2.73261800   -1.29482000    0.23165000
 C                 -1.99842200   -0.15524600   -0.20066700
 H                 -2.10631200    1.97132400   -0.66124500
 H                 -4.60000700    2.07760000   -0.14309700
 H                 -4.71331200   -1.97493500    0.83597200
 H                 -2.22600900   -2.24978300    0.35629900
 N                 -4.68518400    0.04420800    0.31218600
 O                 -6.00854700    0.16310300    0.64734200
 C                 -6.87552900   -0.09218000   -0.47170300
 H                 -6.74339900   -1.12032000   -0.84525900
 H                 -7.89037100    0.03365500   -0.07504800
 H                 -6.69611400    0.63309700   -1.28160100
 N                 -0.63798400   -0.26237500   -0.47854100
 O                 -0.01370800    0.76164700   -0.86610700
 O                 -0.07608400   -1.37866000   -0.33896900



