%nprocshared=24
%mem=100GB
%chk=a1_ts3_guess.chk
#p opt freq wb97xd/6-311g(d,p)
scrf=(smd,solvent=acetonitrile) temperature=353.15

a1 TS3 guess

0 1
 C                  4.02951200   -2.37392200    0.15216400
 H                  4.00536100   -2.82802400   -0.84498800
 H                  3.63950900   -3.10411000    0.86284900
 C                  5.44721000   -1.96889000    0.50846600
 H                  5.50351200   -1.69711200    1.56647300
 H                  6.13085400   -2.80082500    0.33294500
 C                  5.85806800   -0.78216100   -0.34433500
 H                  6.82396100   -0.39273800   -0.01965000
 H                  5.94962200   -1.07583700   -1.39697600
 N                  3.16020800   -1.20778300    0.18942300
 H                  2.14022800   -1.36895000    0.26341200
 C                  5.33682700    1.65038200   -0.56649400
 H                  6.35779700    1.75735500   -0.19690700
 H                  5.35995300    1.76026700   -1.65739200
 C                  4.43245800    2.69837300    0.05646900
 H                  4.72464500    3.68890500   -0.29545600
 H                  4.53968000    2.67622900    1.14475500
 C                  2.99347600    2.40936000   -0.32686100
 H                  2.30251800    3.03401900    0.24094600
 H                  2.83635400    2.61522300   -1.39169200
 C                  3.58163100    0.03870500   -0.03383300
 N                  4.88674100    0.30354900   -0.21683700
 N                  2.67764600    1.01960800   -0.03528600
 C                 -0.30010900   -0.75776300    0.43696200
 O                 -1.65512500   -1.05135500    0.59599600
 O                  0.00949800    0.44970200    0.41155900
 C                 -3.69667000   -1.80687100   -0.33386800
 C                 -2.44347400   -0.96278300   -0.59337200
 H                 -1.88275000   -1.41863400   -1.41991400
 C                 -2.80865000    0.47906300   -0.95841900
 H                 -1.91730100    1.08310200   -0.78337400
 H                 -3.02719400    0.52505200   -2.02755600
 C                 -4.47697400   -1.23822000    0.87263700
 H                 -5.54043900   -1.42583900    0.68443800
 H                 -4.21675700   -1.80245300    1.77200100
 C                 -4.02195400    1.03831200   -0.17350300
 H                 -4.91335900    0.89629500   -0.79195600
 C                 -4.23586500    0.25599900    1.12966900
 H                 -5.08270400    0.67875100    1.67976000
 H                 -3.35105300    0.36615300    1.76013300
 C                 -3.85150100    2.52347600    0.06490400
 C                 -4.56195900    3.41990200   -0.61974100
 H                 -5.30640300    3.11155600   -1.34912900
 H                 -4.42276300    4.48807000   -0.47518800
 C                 -2.83171500    2.93703700    1.09382800
 H                 -3.20307200    2.73367600    2.10411300
 H                 -1.90109400    2.37084700    0.98173400
 H                 -2.60700500    4.00377100    1.02603400
 C                 -3.35182600   -3.27541100   -0.12383700
 H                 -4.26009800   -3.85043000    0.08749100
 H                 -2.88537400   -3.68401300   -1.02502400
 H                 -2.66244000   -3.39424000    0.71389200
 O                 -4.45734900   -1.66235000   -1.53864300
 H                 -5.26823000   -2.16444500   -1.42432800
 O                  0.46117667   -1.75772224    0.37296041
 H                 -0.06156730   -2.56174826    0.41632979



