%nprocshared=24
%mem=100GB
%chk=a2_ts4a.chk
#p opt freq wb97xd/6-311g(d,p)
scrf=(smd,solvent=acetonitrile) temperature=353.15

A2 ts4 a

0 1
 C                 -2.96088500    2.13460000   -0.48595400
 H                 -2.58055600    2.38770800   -1.48571300
 H                 -2.72863200    2.97217100    0.16871800
 C                 -4.45569500    1.87482600   -0.54596800
 H                 -4.85264100    1.79500300    0.47552200
 H                 -4.97134600    2.70388200   -1.04380300
 C                 -4.72521500    0.59037100   -1.29550300
 H                 -5.77730000    0.30780400   -1.22549000
 H                 -4.49302600    0.71342300   -2.35732000
 N                 -2.28327100    0.96058400    0.01925700
 H                 -1.27059300    0.96418900    0.29897700
 C                 -4.32573800   -1.87074400   -1.11727100
 H                 -5.41630400   -1.91851700   -1.08572400
 H                 -4.01203200   -2.07746100   -2.14304400
 C                 -3.71676300   -2.88069200   -0.15664600
 H                 -3.94268700   -3.89180900   -0.49239800
 H                 -4.15196700   -2.73762000    0.84235300
 C                 -2.21132100   -2.67170400   -0.09763400
 H                 -1.76866800   -3.25381800    0.71327100
 H                 -1.75022400   -3.01448300   -1.03646900
 C                 -2.72338800   -0.29136000   -0.21505900
 N                 -3.93901400   -0.51390500   -0.73844500
 N                 -1.90206500   -1.27261900    0.13251300
 H                 -0.89302900   -0.87020400    0.41711300
 C                  0.37150700   -0.20705800    3.69791500
 O                  0.10385200    0.06714000    0.70426200
 O                 -0.80209000   -0.07717200    3.56929100
 O                  1.52645400   -0.29225700    3.51417700
 C                  1.48812200    1.76417300   -0.31944200
 C                  1.04707300    0.26791600   -0.23657500
 H                  0.72968300    0.03821800   -1.30316100
 C                  2.61247300    1.92494900   -1.35701000
 H                  2.93080100    2.97689500   -1.39410600
 H                  2.17916800    1.69833100   -2.33666200
 C                  2.29345500   -0.60740000    0.04273400
 H                  1.94459800   -1.64547300    0.08094400
 H                  2.66634800   -0.35292200    1.04212800
 C                  3.81888500    1.02190600   -1.10638900
 H                  4.54927900    1.17244000   -1.90413200
 H                  4.31576100    1.30985900   -0.17082200
 C                  3.40043400   -0.45590400   -1.01169700
 H                  2.95708000   -0.71850700   -1.98449100
 C                  1.88563500    2.32608200    1.04908700
 H                  2.07176300    3.40687200    0.97874700
 H                  1.07502800    2.13305200    1.75555400
 H                  2.79930000    1.86032800    1.43870200
 C                  5.50260700   -1.47980500   -2.03887800
 H                  5.95907200   -0.51937800   -2.28040200
 H                  6.30077200   -2.20465200   -1.87871000
 H                  4.93088600   -1.78002400   -2.92041600
 C                  4.60310000   -1.36740700   -0.83859100
 C                  4.85724200   -2.03894900    0.28906300
 H                  5.73897100   -2.67236800    0.36547600
 H                  4.22090900   -1.97541800    1.16056900
 O                  0.32235000    2.47190200   -0.77624700
 H                  0.53634000    3.40435700   -0.76743300



