%chk=sp_EDA_reac_a_reac_b_nbo.chk
%mem=20GB
%nprocshared=12
#p b3lyp scrf=(smd,solvent=dichloroethane) pop=(full,nbo)
def2tzvpp empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=(save,xqc)

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1 1
 C                  1.44795500    0.44952000    1.62147500
 C                  1.38979500   -0.60077500    0.67384700
 H                  0.46832400    1.41678900    3.26570400
 C                  0.41107000    0.59606500    2.54572200
 C                  0.29778600   -1.49013200    0.71028900
 C                 -0.71328400   -1.34097300    1.66009400
 C                 -0.67047600   -0.28966800    2.57896100
 H                  0.22924200   -2.31030100   -0.00103100
 H                 -1.54745900   -2.04662100    1.66709800
 H                 -1.46338300   -0.16420900    3.31932600
 N                  2.42818200   -0.75933000   -0.27002400
 C                  2.52170300   -1.99209400   -1.06077300
 H                  1.53585300   -2.21715800   -1.49175300
 H                  3.19553200   -1.76670900   -1.89396400
 C                  3.05937700   -3.17163800   -0.25919500
 H                  2.42057500   -3.40922700    0.60556500
 H                  3.11361700   -4.06771000   -0.89777200
 H                  4.07288400   -2.95421900    0.11275300
 C                  3.23228700    1.51965800    0.24771700
 H                  2.56272300    2.15347400   -0.35709200
 H                  4.21448100    2.00944400    0.25971900
 C                  2.66684800    1.33109100    1.64912100
 H                  2.42984100    2.30111800    2.10920400
 H                  3.43150100    0.85398000    2.28979600
 C                  3.39485000    0.21492100   -0.49949500
 O                  4.30421900    0.03560600   -1.29404900
 C                 -1.93286000    1.43795900    0.20030000
 C                 -3.08809700    0.74573600    0.53224700
 C                 -2.77564700   -0.74747400   -1.29785400
 C                 -1.60767200   -0.10315500   -1.65853100
 C                 -1.20376900    0.99004600   -0.89427400
 H                 -1.61035600    2.28925300    0.79612800
 H                 -3.72334000    0.98511500    1.38548000
 H                 -3.18700300   -1.61542100   -1.81288400
 H                 -1.02524900   -0.45327900   -2.50913000
 N                 -3.46487600   -0.30125600   -0.22431900
 O                 -4.56077800   -1.01673900    0.16782300
 C                 -5.78768400   -0.48963600   -0.39638900
 H                 -5.76217400   -0.55413700   -1.49461100
 H                 -6.57154400   -1.14239200    0.00655500
 H                 -5.94700400    0.54810400   -0.06605000
 N                  0.04713500    1.68856300   -1.25192500
 O                  0.25520200    2.76390500   -0.71728400
 O                  0.78095300    1.14117400   -2.05508300

