
%nprocshared=24
%mem=100GB
%chk=a2_ts3m_guess.chk
#p opt freq wb97xd/6-311g(d,p)
scrf=(smd,solvent=acetonitrile) temperature=353.15

A2 TS3 m guess

0 1
 C                 -2.72993100   -2.16559300    0.08747900
 H                 -2.31438200   -2.21758300    1.10212700
 H                 -2.01529900   -2.66979600   -0.56839800
 C                 -4.07833000   -2.86689700    0.05422100
 H                 -4.41253200   -2.98510400   -0.98150400
 H                 -4.00967100   -3.86050900    0.50237400
 C                 -5.08567800   -2.02705600    0.81835500
 H                 -6.09508900   -2.42840400    0.70078100
 H                 -4.85010200   -2.02932500    1.89137900
 N                 -2.82634900   -0.77683700   -0.33281800
 H                 -2.03849233   -0.35454616   -0.74750520
 C                 -6.21821400    0.17206300    0.73183000
 H                 -7.12285800   -0.43462800    0.65110300
 H                 -6.10079100    0.45183000    1.78783100
 C                 -6.33463900    1.41541400   -0.13031600
 H                 -7.10265300    2.07460900    0.27835800
 H                 -6.62695500    1.13585300   -1.14683900
 C                 -4.99434800    2.12359300   -0.16053600
 H                 -5.00773400    2.95993100   -0.86112200
 H                 -4.75915500    2.52102700    0.83578800
 C                 -3.94221900   -0.12150800   -0.17675700
 N                 -5.09440600   -0.65981700    0.30993400
 N                 -3.97890800    1.18048700   -0.60429200
 H                 -3.06378800    1.56771700   -0.77921600
 O                 -0.66549262    0.48054341   -1.46765672
 O                  1.41107938    1.02433941   -1.32277272
 C                  0.43024138    0.27517141   -0.79277272
 O                  0.55244838   -0.47577559    0.15342828
 C                  3.01985638    1.98082741    0.30856528
 C                  3.33204738   -0.39622759   -0.59700772
 C                  4.53539438    1.98708241    0.57788728
 C                  2.23004138    1.68048341    1.57940428
 O                  2.63460338    3.26302141   -0.18992572
 H                  3.10306138   -1.02242559   -1.46487172
 H                  2.83971538   -0.84305859    0.26542528
 C                  4.84387738   -0.33163159   -0.37010172
 H                  4.73072238    2.64378341    1.43264928
 H                  5.01971938    2.44085141   -0.29414472
 C                  5.13315138    0.60307041    0.81907528
 H                  2.50928538    2.40620541    2.35106528
 H                  1.15884438    1.76997441    1.39522528
 H                  2.42856938    0.67938541    1.96489828
 H                  2.80340338    3.89913241    0.51046828
 H                  5.30350438    0.12793641   -1.25722872
 C                  5.50663438   -1.68309459   -0.18802772
 H                  6.20965538    0.70313841    0.97801628
 H                  4.71441038    0.15645141    1.72853828
 C                  7.00784038   -1.68488659   -0.31195772
 C                  4.83623038   -2.80619159    0.06822228
 H                  7.47332038   -1.07034559    0.46532328
 H                  7.41425638   -2.69537759   -0.23271372
 H                  7.31343038   -1.26129159   -1.27493972
 H                  5.36020838   -3.74901959    0.19777528
 H                  3.75541538   -2.83465959    0.15516228
 C                  2.77132438    1.00098441   -0.84920472
 H                  3.30367838    1.42794741   -1.70402572



