%chk=reac_b_deprotonated.chk
%mem=120GB
%nprocshared=24
#p opt freq=noraman b3lyp scrf=(smd,solvent=dichloroethane) pop=full
def2svp empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=(save,xqc)

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1 1
 C                  1.09691600   -0.94884300    0.18668100
 C                  0.41620600    0.28084800   -0.16441600
 H                  2.99787300   -1.87073400    0.52930800
 C                  2.48209900   -0.94499000    0.26714000
 C                  1.18440800    1.46960100   -0.38949300
 C                  2.55490400    1.43093800   -0.29626800
 C                  3.21635000    0.22218300    0.02904800
 H                  0.69068400    2.40146300   -0.65354900
 H                  3.13651200    2.33508300   -0.48373700
 H                  4.30606500    0.20210100    0.09565600
 N                 -0.94286800    0.30534100   -0.25925400
 C                 -1.68946000    1.57280100   -0.38796900
 H                 -1.18975700    2.18789900   -1.14555500
 H                 -2.67904300    1.30680500   -0.77024900
 C                 -1.81291400    2.30031800    0.94643100
 H                 -0.82865400    2.57607100    1.35378900
 H                 -2.39586200    3.22122500    0.79472800
 H                 -2.33857000    1.67594800    1.68407800
 C                 -0.99619800   -2.19364100   -0.30291500
 H                 -1.67331700   -2.99657400    0.01210300
 C                  0.29048000   -2.16275000    0.51102000
 H                  0.88575100   -3.07047500    0.34581800
 H                  0.04404800   -2.13465900    1.58913700
 C                 -1.74749600   -0.90189100   -0.21335800
 O                 -2.94552200   -0.79659000   -0.15995400


