%nproc=24
%mem=100GB
%chk=a2_ts2RS.chk
#p opt freq wb97xd/6-311G** scrf=(smd, solvent=acetonitrile) temperature=353.15

A2 ts2 

0 1
 C                  0.10057200    2.50403100   -1.85386300
 H                 -0.95834400    2.70249600   -2.05568700
 H                  0.43021400    1.71516300   -2.53083600
 C                  0.92167600    3.76532100   -2.03084200
 H                  1.98906900    3.52063500   -2.02731200
 H                  0.68119300    4.23652400   -2.98524100
 C                  0.61334700    4.72755700   -0.89738300
 H                  1.28046400    5.59049700   -0.93264400
 H                 -0.41718100    5.09514600   -0.97015500
 N                  0.25499300    2.01090100   -0.49166500
 H                  0.19745300    1.02216200   -0.31536300
 C                  0.99340400    4.94800400    1.56324300
 H                  1.59052600    5.79844800    1.24299600
 H                  0.02025900    5.32454600    1.90103400
 C                  1.69356200    4.19169200    2.68113700
 H                  1.73444900    4.81220200    3.57445100
 H                  2.71422100    3.95294200    2.38012600
 C                  0.93055000    2.91171900    2.97500100
 H                  1.49376000    2.26887000    3.65676300
 H                 -0.02940600    3.14490500    3.45085200
 C                  0.58223400    2.77011100    0.55608600
 N                  0.81261300    4.07892000    0.40271400
 N                  0.70181100    2.16986000    1.74489700
 H                  0.27527600    1.21962400    1.84644400
 C                 -0.21448200   -1.13443500    1.24742700
 O                  0.41556300   -0.70253200    0.00092200
 O                 -0.55559800   -0.20126200    2.04282200
 O                  0.79072000   -2.02491000    1.80356700
 C                  1.74654600   -2.32763500    0.80800300
 C                  2.68610800   -1.00406600   -1.13174800
 H                  2.68999600   -0.03304100   -1.63776700
 H                  2.34513700   -1.74960500   -1.85553500
 C                  3.11164500   -2.63101100    1.37650200
 H                  3.12645700   -3.60367200    1.87906000
 H                  3.35288600   -1.86551000    2.12635500
 C                  4.11839900   -1.32827300   -0.62613300
 H                  4.40863200   -0.49382400    0.02913500
 O                 -1.27254600   -2.02216100    0.88381100
 C                 -3.55624200   -2.54237800    0.43388200
 O                 -3.24369500   -3.07550300   -0.86230500
 H                 -3.88772400   -3.76702900   -1.04606600
 C                 -3.47524200   -3.65365300    1.47050700
 H                 -2.51202200   -4.15719400    1.40946800
 H                 -3.60534200   -3.25904000    2.48283200
 H                 -4.27174400   -4.38843300    1.28963700
 C                  1.21927000   -3.45953800   -0.08299000
 H                  1.00746000   -4.32325600    0.55583400
 H                  0.28738700   -3.15786400   -0.56079200
 H                  1.93321100   -3.76831300   -0.84740800
 C                 -2.53729000   -1.43077100    0.69623000
 H                 -2.83683600   -0.94202900    1.62991800
 C                  1.80189600   -0.98375900    0.10428300
 H                  2.25390600   -0.26450000    0.80449300
 C                  4.15785700   -2.60400100    0.25276500
 H                  5.15155200   -2.70378600    0.69865200
 H                  4.02319400   -3.47573100   -0.39623300
 C                  6.61065200   -1.51768300   -1.20238100
 H                  6.79982200   -2.50101600   -0.76177200
 H                  7.32380600   -1.37061400   -2.01463900
 H                  6.81271700   -0.77560100   -0.42665500
 C                 -3.89990300   -0.15814500   -1.06934500
 H                 -4.01878000   -0.89954400   -1.86653100
 C                 -2.52467700   -0.38782000   -0.43001400
 H                 -1.81420100   -0.71463300   -1.19011400
 H                 -2.12536000    0.53407800   -0.00683400
 C                 -5.00134300   -0.44258400   -0.03940100
 H                 -4.85187900    0.22821900    0.81555100
 H                 -5.98724800   -0.21030400   -0.45138100
 C                 -4.96606600   -1.90641700    0.43049600
 H                 -5.39490500   -1.97367400    1.43462500
 H                 -5.59928200   -2.52763800   -0.22118300
 C                 -4.95170900    1.20901700   -2.92967000
 H                 -5.90964500    0.70632500   -2.73156200
 H                 -5.16052600    2.22011200   -3.28626500
 H                 -4.46287000    0.64884100   -3.73473200
 C                 -4.09285000    1.20900000   -1.69784700
 C                 -3.59571800    2.34052800   -1.19350600
 H                 -3.80226800    3.29879500   -1.65976900
 H                 -2.97778400    2.35474400   -0.30190500
 C                  5.18738100   -1.40453800   -1.69909700
 C                  4.92745200   -1.37522200   -3.00528500
 H                  5.72948300   -1.42531900   -3.73662800
 H                  3.91816600   -1.29685000   -3.39890900



