%nproc=8
%chk=rs_structure_ts1_trans_freq.chk
%mem=19800MB
#p freq=noraman b3lyp/6-31g(d) geom=connectivity

Title Card Required

0 1
 C                  4.28518200    0.83741600   -1.30497000
 C                  2.86907000    0.82785200   -0.68069100
 C                  1.95574800   -0.35401300   -1.07227600
 C                  2.04898700   -0.71015000   -2.56551100
 C                  6.76459300    1.45356700   -1.18766700
 C                  2.19364000   -1.63180100    1.24524400
 C                  2.12598800   -3.10857900    1.69345300
 C                  2.65805800   -3.90947000    0.48913400
 C                  2.20040500   -3.06727000   -0.71107600
 H                  6.60624400    2.17661500   -1.99560400
 H                  4.58974700   -0.16352600   -1.62160300
 H                  4.27745500    1.45134900   -2.20979700
 H                  2.90647000    0.87205200    0.41373500
 H                  2.31722600    1.72241800   -0.98145200
 H                  1.78712500    0.19349700   -3.12533400
 H                  2.78181800   -3.26749900   -1.61348400
 H                  3.75376600   -3.96968700    0.51310200
 H                  2.25691700   -4.92144300    0.41707100
 H                  2.71479500   -3.28069300    2.59882200
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 H                  2.97739300   -1.07294700    1.75496900
 H                  1.24703300   -1.10108700    1.33344900
 C                  5.40038400    1.36331000   -0.38398700
 C                  5.62860600    0.41351800    0.80001100
 C                  5.11629700    2.82167600    0.06314400
 C                  6.35846700    0.95370400    2.01621300
 C                  5.76078100    3.32447100    1.35080600
 C                  5.73457100    2.28300400    2.47726400
 H                  6.32732400    0.18890300    2.79679200
 H                  6.80514500    3.58689100    1.12134800
 H                  4.69963000    2.11058900    2.80024000
 O                  4.44592200    3.54978800   -0.63835600
 O                  5.23996800   -0.74690800    0.76690000
 H                  7.41415300    1.11988600    1.75562700
 H                  6.27598900    2.66086900    3.35070200
 H                  5.25315000    4.25145400    1.63079000
 H                  7.53911300    1.87366900   -0.53105100
 C                  7.24727100    0.14612800   -1.75513500
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 H                  7.47316200   -0.64423100   -1.03920400
 C                  0.71708400   -3.40781000   -1.04487100
 O                  0.55560700   -4.57343400   -1.42611200
 N                 -0.20444100   -2.44909100   -0.83821900
 C                 -1.86702400   -3.81099200    3.41822100
 C                 -2.05447600   -3.19928800    2.19766800
 C                 -1.93824900   -1.78661500    2.05643700
 C                 -1.62872500   -1.01925500    3.22779600
 C                 -1.44395400   -1.68058000    4.47089200
 C                 -1.55781600   -3.04846700    4.57031200
 H                 -1.96216700   -4.89089700    3.49774000
 H                 -2.29489100   -3.79478700    1.32365100
 C                 -2.12474600   -1.12640400    0.79870600
 C                 -1.52226300    0.38979300    3.10722100
 H                 -1.21209000   -1.08000600    5.34815400
 H                 -1.41600900   -3.54395400    5.52712300
 C                 -1.69479800    1.01792300    1.90014500
 C                 -1.98343500    0.25895500    0.73466000
 H                 -1.29743600    0.97833000    3.99381300
 H                 -1.58596100    2.09240000    1.82898500
 C                 -6.63271100   -2.18208900   -1.54549500
 C                 -5.67523100   -2.87525000   -2.25175900
 C                 -4.30468100   -2.80392400   -1.89154700
 C                 -3.90681400   -1.99521300   -0.77744200
 C                 -4.92428700   -1.29910600   -0.06472900
 C                 -6.24770300   -1.38928200   -0.43933500
 H                 -3.60627800   -4.14104400   -3.44351000
 H                 -7.67937300   -2.24485200   -1.83118400
 H                 -5.95574600   -3.49374200   -3.10168700
 C                 -3.30579900   -3.52168400   -2.60097100
 C                 -2.51867300   -1.91881800   -0.41420900
 H                 -4.64451300   -0.69284200    0.79028300
 H                 -7.00423200   -0.84954400    0.12494900
 C                 -1.56371400   -2.62881800   -1.15242200
 C                 -1.98417700   -3.44280600   -2.24917500
 H                 -1.23392300   -4.00642400   -2.78726700
 N                 -2.19411600    0.88866200   -0.51336000
 C                 -3.05926900    3.45928600   -0.45606500
 C                 -4.37356900    3.08040000   -0.74415400
 C                 -2.78753000    4.67180200    0.17549100
 C                 -5.41729500    3.92539300   -0.38098100
 H                 -4.57488200    2.12737900   -1.22234700
 C                 -3.84710700    5.50748500    0.53058400
 H                 -1.76069500    4.94539200    0.39262800
 C                 -5.17308800    5.15205300    0.25759500
 H                 -6.44127200    3.62702200   -0.59308600
 H                 -3.63742800    6.45013600    1.03019100
 C                 -6.31692000    6.06722100    0.62489700
 H                 -7.15333200    5.50793100    1.05885300
 H                 -6.00592700    6.82811700    1.34740300
 H                 -6.70307900    6.59007400   -0.25990200
 H                  1.31913100   -1.47878300   -2.82536500
 H                 -2.12752400    0.26476200   -1.31406500
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 O                 -1.67289700    2.34734300   -2.44690700
 H                  3.04311600   -1.03708000   -2.88791100
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 N                  2.54464500   -1.66320100   -0.23293900
 O                  0.70752400   -0.15351000   -0.64345000
 H                  0.19051800   -1.21010700   -0.71608300
 H                  3.56750800   -1.58256200   -0.27514500

 1 2 1.0 11 1.0 12 1.0 23 1.0
 2 3 1.0 13 1.0 14 1.0
 3 4 1.0 100 1.5
 4 15 1.0 93 1.0 97 1.0
 5 10 1.0 23 1.0 37 1.0 38 1.0
 6 7 1.0 21 1.0 22 1.0 99 1.0
 7 8 1.0 19 1.0 20 1.0
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 9 16 1.0 43 1.0 99 1.0
 10
 11
 12
 13
 14
 15
 16
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 20
 21
 22
 23 24 1.0 25 1.0
 24 26 1.0 33 2.0
 25 27 1.0 32 2.0
 26 28 1.0 29 1.0 34 1.0
 27 28 1.0 30 1.0 36 1.0
 28 31 1.0 35 1.0
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38 39 2.0 42 1.0
 39 40 1.0 41 1.0
 40
 41
 42
 43 44 2.0 45 1.5
 44
 45 75 1.0
 46 47 2.0 51 1.5 52 1.0
 47 48 1.5 53 1.0
 48 49 1.5 54 1.5
 49 50 1.5 55 1.5
 50 51 2.0 56 1.0
 51 57 1.0
 52
 53
 54 59 1.5 72 1.0
 55 58 2.0 60 1.0
 56
 57
 58 59 1.5 61 1.0
 59 78 1.0
 60
 61
 62 63 2.0 67 1.5 69 1.0
 63 64 1.5 70 1.0
 64 65 1.5 71 1.5
 65 66 1.5 72 1.5
 66 67 2.0 73 1.0
 67 74 1.0
 68 71 1.0
 69
 70
 71 76 2.0
 72 75 1.5
 73
 74
 75 76 1.5
 76 77 1.0
 77
 78 94 1.0 98 1.0
 79 80 1.5 81 1.5 98 1.0
 80 82 1.5 83 1.0
 81 84 1.5 85 1.0
 82 86 1.5 87 1.0
 83
 84 86 1.5 88 1.0
 85
 86 89 1.0
 87
 88
 89 90 1.0 91 1.0 92 1.0
 90
 91
 92
 93
 94
 95 98 2.0
 96 98 2.0
 97
 98
 99 102 1.0
 100
 101
 102





