%nprocshared=24
%mem=122GB
%chk=Al_int2A_ts_guess_attack.chk
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq wb97xd/6-311g(d,p) scrf=(smd,solvent=toluene)

Int2A with AlMe catalyst

-1 1
 H                  3.80522900    3.15169800   -2.03498400
 H                  2.35180200    1.18152700   -2.22380800
 H                  2.39771600   -1.01097300    0.72939400
 C                  4.15734900    2.19120300   -1.67510800
 C                  3.33571400    1.07692400   -1.78516200
 C                  2.13558000   -1.75485100   -0.02702100
 C                  2.44364200   -3.14912500    0.51220100
 C                  5.40848500    2.08218300   -1.08066000
 C                  3.74574300   -0.16089600   -1.29514300
 C                  2.86045900   -1.39351800   -1.37079500
 H                  6.04318900    2.95619700   -0.98215000
 H                  2.45085800   -3.90750500   -0.26558600
 C                  5.83529400    0.84786000   -0.60508500
 C                  5.00970500   -0.26439700   -0.71206800
 O                  3.63898600   -2.51267100   -1.80426000
 H                  4.26894000   -2.19538700   -2.45494600
 H                  6.80795500    0.75120700   -0.13443700
 H                  5.33359900   -1.22242400   -0.32197100
 H                  1.69963700   -3.38208500    1.26877800
 O                  0.78719500   -1.75911500   -0.34648500
 Br                 4.17604100   -3.30959800    1.43597200
 H                  3.67585500    2.00583000    2.88722400
 H                 -3.11367900   -2.99463400    0.87049700
 H                  3.68169800    0.99524800    1.42952700
 C                  3.04065300    1.53869700    2.12987700
 H                 -2.88843300   -3.81755200   -0.66185500
 C                 -3.59801900   -3.21758300   -0.08302300
 H                  2.40291600    0.79384200    2.61562600
 H                  3.05310800    4.25829300    2.38007800
 H                 -4.48605600   -3.82500800    0.11243200
 C                  2.21030900    2.55804000    1.40780000
 C                  2.33419000    3.91943600    1.63624900
 C                 -3.95482500   -1.95186500   -0.80543400
 O                 -1.68845600   -1.28283000   -0.77049200
 H                 -6.05016000   -2.34763500   -0.86771100
 H                  2.75182500    6.68147900    1.07097900
 C                 -5.26814600   -1.64130300   -1.13951600
 H                 -1.45875900   -1.50550200    3.99795000
 C                 -2.93037600   -1.03628700   -1.11965900
 O                  1.17065600    0.82385400    0.19056800
 C                  1.28161400    2.10440000    0.44516900
 C                  1.56762500    4.87174100    0.95502400
 C                  1.72645700    6.34126500    1.25246300
 Al                -0.27085800   -0.26168200   -0.13758400
 H                  1.49226600    6.56667400    2.29850200
 C                 -2.14641400   -1.93231700    3.26048500
 H                 -1.52542300   -2.48255100    2.54687100
 C                 -5.62192300   -0.45989100   -1.78964100
 C                 -3.27503700    0.15492600   -1.78151200
 H                 -2.80535700   -2.63887400    3.77298600
 H                 -1.47277800    0.72572700   -2.78262200
 H                 -7.72513700   -0.94815600   -1.81259900
 C                  0.51655900    3.04789000   -0.25427400
 O                 -0.93668500   -0.06718700    1.55786800
 C                  0.65929800    4.40885800    0.01214800
 H                  1.06353500    6.94690900    0.62870900
 C                 -4.59650500    0.42812300   -2.10491800
 C                 -7.06027400   -0.12840800   -2.09803900
 C                 -2.93355300   -0.86016200    2.56247600
 C                 -2.17997300    1.13706500   -2.05556600
 H                 -7.21523500    0.06439000   -3.16518900
 C                 -2.24496200    0.04502800    1.73468400
 N                 -1.37077900    1.49816700   -0.85867600
 H                 -4.84513100   -1.50589800    3.26643100
 C                 -4.31690400   -0.77309800    2.65908200
 H                  0.04274100    5.11900200   -0.53550300
 C                 -0.41625300    2.54550800   -1.31460700
 H                 -4.83491600    1.37337800   -2.58992200
 H                 -2.60713100    2.05635500   -2.48114900
 H                 -7.39143800    0.76493300   -1.55669800
 C                 -2.96967400    1.05138700    1.07253400
 H                 -0.98681600    3.38670200   -1.73418600
 C                 -5.05241700    0.19844600    1.97984300
 C                 -2.21772700    2.05511200    0.23702800
 H                 -6.95793400   -0.46129400    1.22466900
 C                 -4.35087100    1.11460400    1.20604300
 H                  0.15371000    2.09449100   -2.13294800
 C                 -6.55848000    0.19653400    2.00590900
 H                 -1.53618000    2.60320700    0.89095700
 H                 -2.91774100    2.78315400   -0.19730200
 H                 -6.94788700   -0.15708100    2.96541200
 H                 -4.89796000    1.87387200    0.65233900
 H                 -6.96518600    1.19634100    1.82821300
 C                  1.74365300   -1.28967300   -2.39648500
 C                  0.47465895   -2.14048318   -2.20624529
 O                  0.91411065   -0.01829959   -2.24397674
 H                  2.11461700   -1.18247000   -3.41452300
 H                  0.03327395   -2.91960718   -1.61984029
 H                  0.06965395   -2.29662218   -3.23904129

B 20 85 S 15 -0.100000



