%nproc=4
%chk=rs_structure_ts2_trans_qian.chk
%mem=14400MB
#p opt freq=noraman   b3lyp/6-31g(d) geom=connectivity

Title Card Required

0 1
 C                  4.80186800   -0.11815200   -0.70904200
 C                  3.30267700    0.18297300   -0.86420200
 C                  2.48449300   -1.03333900   -1.31860300
 C                  2.83734200   -1.49469500   -2.73145200
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 C                  2.25156800   -1.78993700    1.05698800
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 H                  4.94109400   -0.94158000   -0.00604000
 H                  5.20965800   -0.43813200   -1.67232200
 H                  2.90140800    0.54918100    0.08653400
 H                  3.15541900    0.96664800   -1.61281500
 H                  2.93421300   -0.62716000   -3.38846400
 H                  2.41742900   -3.84117500   -1.56001400
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 H                  1.43958700   -1.06926100    1.22239500
 C                  5.64170700    1.08602400   -0.23564300
 C                  5.23495900    1.55241900    1.17751900
 C                  5.60608800    2.22926900   -1.28125600
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 C                  5.93370500    3.64284200   -0.81837200
 C                  5.24538300    3.99513000    0.50765100
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 H                  7.02487500    3.71601300   -0.69216700
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 H                  5.65600100    4.32582400   -1.62578300
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 C                  0.36672700   -3.49045900   -1.02458700
 O                 -0.13572000   -4.61052000   -1.14756900
 N                 -0.27413600   -2.29618900   -1.10752000
 C                 -2.83147000   -3.65410500    3.05328300
 C                 -2.70379300   -2.94070400    1.88173600
 C                 -2.12367300   -1.64142500    1.87509100
 C                 -1.66261500   -1.10237500    3.12078400
 C                 -1.81165600   -1.86260600    4.31073100
 C                 -2.38668200   -3.11253700    4.28236400
 H                 -3.27333200   -4.64651600    3.03158300
 H                 -3.03579200   -3.37321200    0.94493900
 C                 -1.99351600   -0.87109200    0.67010500
 C                 -1.04647800    0.17555900    3.12655200
 H                 -1.45625200   -1.43751700    5.24675500
 H                 -2.49412500   -3.68740900    5.19818400
 C                 -0.89203500    0.89505400    1.96883100
 C                 -1.38708300    0.37844200    0.73997800
 H                 -0.67372200    0.57615600    4.06619900
 H                 -0.38550300    1.85263600    1.97287900
 C                 -6.58834400   -1.01981900   -1.76614800
 C                 -5.73613100   -1.79465300   -2.52123800
 C                 -4.37340000   -1.95108200   -2.15855100
 C                 -3.87285000   -1.28348500   -0.99246000
 C                 -4.78124700   -0.49356000   -0.23434400
 C                 -6.10146200   -0.36697800   -0.61042200
 H                 -3.87354200   -3.28702800   -3.78792000
 H                 -7.63113500   -0.91217800   -2.05256200
 H                 -6.09730600   -2.30631700   -3.41065800
 C                 -3.48873400   -2.76922000   -2.91207900
 C                 -2.49227200   -1.44490600   -0.62564800
 H                 -4.42239200    0.01462000    0.65479400
 H                 -6.77483800    0.23989800   -0.01055500
 C                 -1.64869600   -2.23379600   -1.41215300
 C                 -2.17378600   -2.90838300   -2.55361300
 H                 -1.50566700   -3.54340600   -3.12289000
 N                 -1.16092200    1.10399500   -0.47229000
 C                 -3.02819000    3.21105700   -0.16078200
 C                 -4.04328100    3.17768800   -1.12117300
 C                 -3.30020700    3.56275300    1.16236600
 C                 -5.34280100    3.49909900   -0.74211300
 H                 -3.81029200    2.92370700   -2.14965400
 C                 -4.60991300    3.87679300    1.52237800
 H                 -2.49795300    3.60956300    1.88985800
 C                 -5.64856500    3.84820000    0.58245600
 H                 -6.13323800    3.48160100   -1.48809600
 H                 -4.82571900    4.15775800    2.55000500
 C                 -7.06779200    4.17490700    0.98110300
 H                 -7.10750200    4.67170400    1.95515700
 H                 -7.54856000    4.82902600    0.24527600
 H                 -7.67700800    3.26418900    1.04951800
 H                  2.05943500   -2.14334700   -3.14002200
 H                 -1.58318300    0.64446900   -1.28073000
 O                 -0.43582400    3.43332700    0.29479100
 O                 -1.23359300    2.99502700   -2.09469100
 H                  3.78271200   -2.04446000   -2.72487900
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 H                  1.05221019    0.21802915   -0.93344467
 H                  0.28061856   -1.44408025   -1.27201332

 1 2 1.0 11 1.0 12 1.0 23 1.0
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 10
 11
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 23 24 1.0 25 1.0
 24 26 1.0 33 2.0
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 28 31 1.0 35 1.0
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 30
 31
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 33
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 37
 38 39 2.0 42 1.0
 39 40 1.0 41 1.0
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 41
 42
 43 44 2.0 45 1.5
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 45 75 1.0 102 1.0
 46 47 2.0 51 1.5 52 1.0
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 53
 54 59 1.5 72 1.0
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 57
 58 59 1.5 61 1.0
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 61
 62 63 2.0 67 1.5 69 1.0
 63 64 1.5 70 1.0
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 68 71 1.0
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 70
 71 76 2.0
 72 75 1.5
 73
 74
 75 76 1.5
 76 77 1.0
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 78 94 1.0 98 1.0
 79 80 1.5 81 1.5 98 1.0
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 84 86 1.5 88 1.0
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 86 89 1.0
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 89 90 1.0 91 1.0 92 1.0
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 95 98 2.0
 96 98 2.0
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 98
 99
 100 101 1.0
 101
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