%nprocshared=24
%mem=100GB
%chk=ts1rr16_2.chk
#p opt=(calcfc,ts,noeigentest,maxstep=2) freq wb97xd/6-311g(d,p)
scrf=(smd,solvent=acetonitrile) temperature=353.15

TS1

0 1
 C                 -5.70828200    0.95095700   -1.83653200
 H                 -5.61078800    0.29799700   -2.71304200
 H                 -5.50725700    1.97223200   -2.16846300
 C                 -7.11227600    0.83760600   -1.26468500
 H                 -7.27850200    1.62952100   -0.52801600
 H                 -7.85652100    0.94782000   -2.05561500
 C                 -7.27555000   -0.51677800   -0.59465200
 H                 -8.22771500   -0.57024300   -0.06358300
 H                 -7.26315400   -1.31955700   -1.34274700
 N                 -4.71638800    0.59861500   -0.83793100
 H                 -3.63688400    0.99372800   -0.83841400
 C                 -6.43487400   -1.71880500    1.43624700
 H                 -7.48530300   -1.65771600    1.72600100
 H                 -6.25145800   -2.72933200    1.04941200
 C                 -5.53549800   -1.43442800    2.62748400
 H                 -5.65886500   -2.21855400    3.37637200
 H                 -5.82158500   -0.48049800    3.08039300
 C                 -4.09065600   -1.37973200    2.16504800
 H                 -3.43460600   -0.99885900    2.94786900
 H                 -3.74564300   -2.38630800    1.90266600
 C                 -4.98657500   -0.21506400    0.16831500
 N                 -6.21378700   -0.73041200    0.38445100
 N                 -3.98144900   -0.49583600    1.01864700
 H                 -3.09163600   -0.06024600    0.78048000
 C                 -0.37559900    0.15361200    1.08135500
 O                 -2.31581500    1.22369100   -0.62690500
 O                 -0.90907100   -0.64145900    1.81890600
 O                 -0.36513900    1.45311400    1.35814100
 C                 -0.46208900    2.39414300    0.26223900
 H                  0.10643600    1.99507200   -0.57944100
 C                 -1.93583800    2.47841000   -0.17989400
 C                 -1.96888200    3.52078800   -1.31802400
 H                 -3.00964000    3.66100800   -1.63166400
 H                 -1.43519200    3.08391700   -2.17115400
 C                  0.15326900    3.70414100    0.70674400
 H                  1.18724100    3.52332900    1.01480600
 H                 -0.38390400    4.09750300    1.57570100
 C                 -1.33770600    4.86966500   -0.95968700
 H                 -1.35227900    5.51733200   -1.84040600
 H                 -1.92866800    5.37527600   -0.18673200
 C                 -2.84338200    2.92697100    0.98012500
 H                 -2.59147200    3.91180500    1.38315100
 H                 -3.87737900    2.96592900    0.62367400
 H                 -2.78987900    2.20091400    1.79514900
 O                  0.36048100   -0.13555600    0.01638900
 C                  0.32436600   -1.43755200   -0.64044700
 C                  0.95171900   -2.48418000    0.28533600
 C                 -1.11021400   -1.86215700   -1.02120100
 C                  1.15104200   -1.18088500   -1.89412200
 C                  0.73291100   -3.89243900   -0.24050200
 H                  0.52468000   -2.38906400    1.28170000
 O                  2.35208700   -2.17363100    0.37398700
 H                 -1.74021200   -0.97042100   -0.96733200
 H                 -1.09208400   -2.17611300   -2.06859500
 C                 -1.65689700   -3.00149700   -0.16323400
 H                  0.62416800   -0.45759200   -2.52131600
 H                  2.13395700   -0.78024500   -1.64542700
 H                  1.27802300   -2.10144700   -2.46677700
 C                 -0.77826900   -4.26623000   -0.20684900
 H                  1.31424100   -4.58835900    0.36698900
 H                  1.11911800   -3.95726300   -1.26252600
 H                 -2.67927400   -3.23853000   -0.46812600
 H                 -1.71662300   -2.65687100    0.86938400
 H                 -0.95185100   -4.81138900    0.72861100
 C                 -1.07898100   -5.24715900   -1.32551100
 C                 -1.92581300   -5.00918300   -2.32619300
 C                 -0.33114900   -6.55135100   -1.23260900
 H                 -2.47729600   -4.07997600   -2.41971100
 H                 -2.09464400   -5.75435200   -3.09844200
 H                  0.74966100   -6.39423300   -1.31177200
 H                 -0.51059300   -7.02775400   -0.26232100
 H                 -0.63199800   -7.24392300   -2.02136700
 C                  2.95983100   -2.34092300    1.54520600
 O                  2.50068900   -2.91891800    2.49566000
 O                  4.17133100   -1.80227400    1.58110600
 C                  5.41877000    1.36703300   -0.01863500
 H                  6.29287300    1.96010300    0.27040700
 C                  0.10915300    4.70673000   -0.45038500
 H                  0.68214700    4.27105300   -1.28314400
 C                  0.89967900    6.97882800   -1.31714100
 H                 -0.07539700    7.35940300   -1.63769600
 H                  1.52942700    7.83540300   -1.06782000
 H                  1.33801200    6.46248400   -2.17803300
 C                  0.76261900    6.03988100   -0.14668300
 C                  1.21209900    6.38199300    1.06123900
 H                  1.12847200    5.72809400    1.92243400
 H                  1.68557400    7.34589200    1.22571900
 C                  4.28955300    3.45799100    0.88603900
 H                  4.35610700    3.07122700    1.90909000
 H                  5.18068200    4.07473900    0.72382500
 H                  3.40793300    4.09895400    0.81597900
 C                  4.65959400   -0.95333600    0.51940400
 H                  3.82854800   -0.71518800   -0.14085800
 C                  4.24868000    2.33176900   -0.11154500
 C                  3.23642700    2.20754400   -0.96978600
 H                  2.41536800    2.91751300   -0.96088700
 H                  3.17693200    1.41045900   -1.70235600
 C                  6.57364400   -0.62121500   -1.05202300
 H                  6.96009500   -1.05429400   -1.97910100
 H                  7.43623400   -0.36785200   -0.42690000
 C                  5.77161300    0.64630900   -1.33514400
 H                  6.33891900    1.32283200   -1.97910400
 H                  4.87006100    0.37321000   -1.89071800
 C                  5.18356500    0.33489900    1.12311600
 H                  6.11308800    0.13278500    1.66130700
 H                  4.46026600    0.71781300    1.84606200
 C                  5.74276800   -1.68596500   -0.29509100
 C                  5.11250800   -2.68666200   -1.25927300
 H                  4.49540500   -3.41045700   -0.72194100
 H                  4.48666900   -2.17659500   -1.99780900
 H                  5.89781800   -3.23105700   -1.79321400
 O                  6.56758500   -2.37198900    0.64303900
 H                  7.30264100   -2.74381900    0.14834500



