%nprocshared=24
%mem=100GB
%chk=a1_ts2m.chk
#p opt freq wb97xd/6-311g(d,p)
scrf=(smd,solvent=acetonitrile) temperature=353.15

a1 ts2 m

0 1
 C                  0.28291100   -1.13925400    1.96440000
 H                 -0.49759100   -1.50814000    2.64339100
 H                  0.36278800   -0.06092100    2.09888300
 C                  1.60895400   -1.82139300    2.23429800
 H                  2.40422000   -1.30342800    1.69737200
 H                  1.83209300   -1.80782000    3.30402400
 C                  1.55791900   -3.25906800    1.75221600
 H                  2.55156900   -3.70629400    1.80644600
 H                  0.87306300   -3.85991200    2.36968000
 N                 -0.11123700   -1.37697600    0.58911900
 H                 -0.57628500   -0.65197100    0.07067400
 C                  1.50226500   -4.50412900   -0.42148600
 H                  2.48863600   -4.82165100   -0.07820900
 H                  0.79950500   -5.31990000   -0.21354700
 C                  1.52592600   -4.18479200   -1.90095600
 H                  1.70601700   -5.09569600   -2.47218800
 H                  2.34404700   -3.48420900   -2.11260600
 C                  0.20459700   -3.56062200   -2.30692200
 H                  0.24351100   -3.18993300   -3.32866900
 H                 -0.59845900   -4.31091200   -2.25521600
 C                  0.30933300   -2.40478100   -0.15959800
 N                  1.13116600   -3.32057100    0.35602900
 N                 -0.10408600   -2.44180300   -1.42728300
 H                 -0.96322300   -1.87923800   -1.63612000
 C                 -2.55830800    0.10336000   -1.35654300
 O                 -3.61403000    0.19174300   -0.32429500
 O                 -1.39888000    0.58965100   -0.92949100
 O                 -2.39333800   -1.10159600   -1.79783300
 O                 -3.13843500    0.92732300   -2.39040500
 C                  0.35310600    2.31579100   -0.79276400
 C                 -1.06518400    1.86238200   -0.32290100
 H                 -0.99049600    1.69223000    0.75993600
 C                 -4.04358600   -0.23284600    1.96582700
 C                 -3.61008200   -0.84700500    0.63272900
 H                 -2.59420900   -1.23199200    0.76178500
 C                  0.69680700    3.68377500   -0.17414100
 H                  1.65704500    4.00818300   -0.56975000
 H                  0.82443900    3.53438200    0.90479900
 C                 -2.08585800    2.96644700   -0.57175800
 H                 -3.05325800    2.61236800   -0.21431800
 H                 -2.17655200    3.14253800   -1.64554400
 C                 -4.52478300   -2.03104700    0.24549600
 H                 -4.45899900   -2.10192300   -0.84250400
 H                 -4.11330200   -2.95848700    0.65396700
 C                 -5.48505000    0.31399300    1.86895300
 H                 -5.93731300    0.22595500    2.86924000
 H                 -5.45256600    1.38059400    1.63680600
 C                 -5.99188200   -1.89043800    0.71982600
 H                 -6.06086200   -2.32276300    1.72372300
 C                 -6.35883100   -0.40319100    0.83357300
 H                 -7.41392700   -0.29045300    1.09065500
 H                 -6.20663600    0.07153700   -0.14470700
 C                 -0.36112300    4.75559200   -0.40121000
 H                 -0.04746000    5.67157600    0.10661200
 H                 -0.45083100    4.99308900   -1.46430200
 C                 -1.72602200    4.27953100    0.12189100
 H                 -1.60773700    4.07821100    1.20031000
 C                  0.46356300    2.29845800   -2.30978500
 H                  1.45606200    2.61211800   -2.63281800
 H                  0.25169100    1.28949200   -2.68375300
 H                 -0.27339200    2.97561400   -2.74783100
 C                 -2.61625200    6.55302400    0.86661200
 H                 -1.70653800    7.10382800    0.61944600
 H                 -3.46475700    7.23998000    0.77922400
 H                 -2.52670300    6.25004100    1.91559600
 C                 -2.78897400    5.34566500   -0.01957900
 C                 -3.81891600    5.25441300   -0.85986400
 H                 -4.55799100    6.04826800   -0.92703700
 H                 -3.97304400    4.39420000   -1.50542000
 C                 -6.93395500   -2.66249000   -0.17370700
 C                 -7.48841400   -3.80673000    0.22676100
 H                 -7.29814500   -4.20519900    1.22097600
 H                 -8.14765900   -4.38202600   -0.41795800
 C                 -7.20891700   -2.09730400   -1.54058300
 H                 -7.81030800   -1.18511500   -1.46580000
 H                 -6.28586200   -1.81963200   -2.05492800
 H                 -7.75447900   -2.80845100   -2.16952800
 C                 -3.08416700    0.86012500    2.42755200
 H                 -3.38383800    1.23095400    3.41559500
 H                 -2.06704800    0.46278500    2.50352300
 H                 -3.08470000    1.70194100    1.73366800
 H                 -3.65582500    1.63046900   -1.96926000
 O                  1.28110000    1.33174500   -0.21668500
 O                 -3.97337900   -1.32812900    2.88925100
 H                 -4.26379800   -1.00282800    3.74430900
 C                  2.59228900    1.40160500   -0.42110100
 O                  3.15304000    0.38543200    0.23034800
 O                  3.19544300    2.22413700   -1.07156700
 C                  4.56853000    0.15606400    0.06644400
 C                  4.79070300   -1.15021200   -0.70461300
 H                  4.97324800    0.97017400   -0.53685500
 C                  6.71751800   -0.14170500    1.38905700
 C                  6.94009500   -1.45179300    0.60769700
 H                  7.06198100   -0.31967600    2.41610000
 H                  8.00382300   -1.68513900    0.52943500
 H                  6.47800700   -2.26653300    1.17204100
 C                  5.21021300    0.14839900    1.45062000
 H                  4.73085000   -0.63499100    2.04378600
 H                  5.00621400    1.10108100    1.94621300
 C                  4.17844500   -1.07618500   -2.09858600
 H                  3.10309700   -0.89187400   -2.05237200
 H                  4.64219100   -0.27856700   -2.68488600
 H                  4.34387200   -2.02210600   -2.62652300
 C                  9.04329400    0.70391900    0.72586800
 H                  9.23461300    0.05794200   -0.13841200
 H                  9.62946600    1.61894700    0.59151500
 H                  9.42469400    0.17530900    1.60615000
 C                  7.57439100    1.00758400    0.87402200
 C                  7.11675100    2.22900500    0.60866500
 H                  7.79065500    3.01971100    0.29112600
 H                  6.06999900    2.49715200    0.69841600
 O                  4.16616700   -2.18464100    0.05497600
 H                  4.17792700   -2.98415000   -0.47805000
 C                  6.30686200   -1.39235800   -0.77996900
 H                  6.76829400   -0.59848200   -1.37897000
 H                  6.47475900   -2.33425000   -1.31342400




