%nprocshared=28
%mem=100GB
%chk=ts2_m.chk
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq wb97xd/6-311g(d,p)
scrf=(smd,solvent=acetonitrile) temperature=353.15

TS2

0 1
 C                  1.34233600    0.00495500    2.39886900
 H                  0.45305900    0.08631000    3.03466900
 H                  1.68541600    1.01735500    2.17537900
 C                  2.42209800   -0.79178100    3.10856200
 H                  3.38229200   -0.66581200    2.60228300
 H                  2.53070500   -0.43920000    4.13538600
 C                  2.05175600   -2.26314400    3.10479300
 H                  2.86457300   -2.86524900    3.51450700
 H                  1.15645300   -2.44340600    3.71245900
 N                  0.98333300   -0.62341600    1.13715300
 H                  0.40122900   -0.05648400    0.44689400
 C                  1.93351400   -4.14832900    1.46583700
 H                  2.77478000   -4.52825000    2.04828000
 H                  1.02789900   -4.66190100    1.81151800
 C                  2.15045400   -4.38753400   -0.01674100
 H                  2.16370000   -5.45927100   -0.21996400
 H                  3.11544500   -3.96697700   -0.31731300
 C                  1.03027600   -3.72154600   -0.79240200
 H                  1.23477000   -3.73092100   -1.86413400
 H                  0.08532600   -4.25190800   -0.62414800
 C                  1.22729100   -1.89622900    0.85041400
 N                  1.82590200   -2.71625200    1.73513800
 N                  0.91011900   -2.33339300   -0.37599300
 H                  0.30921000   -1.72941200   -0.95454100
 C                 -1.69529300   -0.17590800   -1.53591000
 O                 -2.68455900   -0.46980900   -0.62646200
 O                 -0.55678700    0.82917000   -0.43477000
 O                 -0.91872600   -1.02462700   -1.97164600
 O                 -2.16642300    0.77034700   -2.39284000
 C                  0.07145500    3.17012400   -0.21656500
 C                 -0.81725600    1.99483200    0.26459700
 H                 -0.53990600    1.85016800    1.32848200
 C                 -3.22998700   -1.57815100    1.40523700
 C                 -2.65408500   -1.75333700   -0.00376200
 H                 -1.62240100   -2.09663600    0.06923200
 C                 -0.15749300    4.39241100    0.67839000
 H                  0.43776900    5.22969000    0.31265000
 H                  0.21329700    4.14414800    1.68034100
 C                 -2.28805100    2.44177900    0.27952900
 H                 -2.90250500    1.58839400    0.56523100
 H                 -2.59985900    2.74124000   -0.72671200
 C                 -3.48268700   -2.74387800   -0.82569400
 H                 -3.26717100   -2.53989100   -1.87759400
 H                 -3.13762200   -3.76016200   -0.62360400
 C                 -4.63919100   -0.95665500    1.32105200
 H                 -5.20233300   -1.31543000    2.19026900
 H                 -4.56116600    0.12945800    1.42775100
 C                 -5.00412500   -2.66409100   -0.54024300
 H                 -5.22813400   -3.40395100    0.23313000
 C                 -5.38953700   -1.28584900    0.02020400
 H                 -6.46932800   -1.25167200    0.19590900
 H                 -5.16097300   -0.51951700   -0.72393200
 C                 -1.62978000    4.79526300    0.77926200
 H                 -1.71161100    5.62974800    1.48031900
 H                 -1.99011900    5.15946500   -0.19059100
 C                 -2.51614000    3.61894500    1.22314300
 H                 -2.17414800    3.31982900    2.22592200
 C                 -0.11126600    3.43626800   -1.70093400
 H                  0.60726600    4.17642700   -2.05562000
 H                  0.02278300    2.49901700   -2.23960600
 H                 -1.11508400    3.81714200   -1.89823600
 C                 -4.24099100    5.09871300    2.39852900
 H                 -3.85478700    6.06837100    2.06796600
 H                 -5.31133600    5.20954500    2.58493700
 H                 -3.74382100    4.86574700    3.34638200
 C                 -3.96882600    4.02653500    1.37537300
 C                 -4.96372400    3.48207400    0.67350800
 H                 -5.99140300    3.79918200    0.82784200
 H                 -4.79964100    2.71241700   -0.07304600
 C                 -5.79741700   -3.03022400   -1.77672300
 C                 -6.40782300   -4.21083700   -1.87828600
 H                 -6.37610500   -4.93352900   -1.06717500
 H                 -6.95692200   -4.49344300   -2.77255500
 C                 -5.85611900   -2.01262900   -2.88524500
 H                 -6.48719200   -1.16520000   -2.59717700
 H                 -4.86491000   -1.60406500   -3.10659300
 H                 -6.26628300   -2.44399800   -3.80078700
 C                 -2.31080000   -0.76432900    2.30536300
 H                 -2.78967000   -0.59235900    3.27572900
 H                 -1.37906100   -1.31032900    2.46888600
 H                 -2.06892700    0.20022400    1.85965400
 H                 -2.86906200    1.25161600   -1.94571100
 O                  1.42855200    2.65544100    0.00106400
 O                 -3.30033300   -2.91996600    1.90543200
 H                 -3.66325700   -2.87242000    2.79367700
 C                  2.50110000    3.33878100   -0.35336200
 O                  3.61135200    2.59086900   -0.34142900
 O                  2.57129200    4.51812200   -0.59399400
 C                  4.88626631    3.16007316   -0.69945528
 C                  5.70774301    2.06304279   -1.35181133
 H                  4.72381289    3.98199681   -1.39759629
 C                  6.93133579    4.27991609    0.11786278
 C                  7.81132150    3.22401283   -0.55210548
 H                  7.43660108    4.69810579    0.99522528
 H                  8.74185548    3.68638738   -0.89568815
 H                  8.08912309    2.45593336    0.17685498
 C                  5.56372672    3.73256818    0.55090067
 H                  5.38096828    2.86964645    1.15659484
 H                  5.27785296    4.61256567    1.08828379
 C                  4.95474849    1.55458047   -2.59522008
 H                  4.07698537    1.02491806   -2.28880593
 H                  4.67406438    2.38628528   -3.20708897
 H                  5.59001147    0.89925594   -3.15369184
 C                  8.00820152    6.15080098   -1.17226024
 H                  8.42383988    5.75075138   -2.07342897
 H                  7.83306933    7.19921542   -1.29496261
 H                  8.69236893    5.99563371   -0.36433817
 C                  6.67736239    5.44096489   -0.86145494
 C                  5.47106743    5.78840172   -1.37204985
 H                  5.38982681    6.61362366   -2.04829589
 H                  4.59687579    5.23560166   -1.09800412
 O                  5.82206443    0.96071629   -0.44809295
 H                  6.27492102    0.23489426   -0.88364236
 C                  7.09735602    2.58038233   -1.75317461
 H                  6.90728407    3.25825846   -2.55893922
 H                  7.76619010    1.81301698   -2.08288872




