%chk=rs00_ts2_trans_freq_qian.chk
%nproc=4
%mem=6800MB
#p opt  b3lyp/6-31g(d) geom=connectivity

Title Card Required

0 1
 C                 -5.73365500   -1.42060600    0.21308300
 C                 -4.61848200   -0.59938600    0.89873500
 C                 -3.31411300   -1.37337600    0.96123900
 C                 -3.27050300   -2.55332900    1.90520800
 C                 -8.14583700   -1.60669400   -0.60084200
 C                 -2.67293500   -0.46867000   -1.27495500
 C                 -1.47224000   -0.79947800   -2.16931200
 C                 -1.14979100   -2.26640100   -1.84595100
 C                 -1.46829300   -2.40760000   -0.34170100
 H                 -8.36314800   -2.36038900    0.16502600
 H                 -5.39418100   -1.78579100   -0.75853400
 H                 -5.96663800   -2.29553000    0.82812100
 H                 -4.45823800    0.35025800    0.38477800
 H                 -4.92608600   -0.37251300    1.92027200
 H                 -3.85001600   -2.33625700    2.80520500
 H                 -2.25077200   -2.81232600    2.19266800
 H                 -1.82493400   -3.41210400   -0.10779700
 H                 -1.80619700   -2.93901700   -2.41096200
 H                 -0.11585900   -2.53991600   -2.07013400
 H                 -1.70639400   -0.64872400   -3.22681600
 H                 -0.62990100   -0.14967200   -1.91993000
 H                 -3.62930200   -0.61605200   -1.78488300
 H                 -2.63035900    0.55354700   -0.89836600
 C                 -7.04346200   -0.63597400   -0.00388400
 C                 -6.85126300    0.50799600   -1.02387000
 C                 -7.63583300   -0.15241900    1.34130200
 C                 -7.84771100    1.65837200   -1.00700500
 C                 -8.61343200    1.01385700    1.31694600
 C                 -8.12279000    2.15902700    0.41879000
 H                 -7.45289700    2.44569600   -1.65456800
 H                 -9.57925400    0.64403500    0.93980600
 H                 -7.20801900    2.59572800    0.83990600
 O                 -7.35246300   -0.72242100    2.37821700
 O                 -5.94947600    0.46691700   -1.84081600
 H                 -8.78901200    1.30675900   -1.45673800
 H                 -8.86929400    2.95967200    0.39454700
 H                 -8.77135500    1.33372500    2.35048600
 H                 -9.07130500   -1.03493400   -0.75570300
 C                 -7.75479300   -2.28305900   -1.88680800
 C                 -7.71605600   -3.60598100   -2.05174300
 H                 -7.45396100   -4.05328800   -3.00656500
 H                 -7.95350000   -4.29300200   -1.24185300
 H                 -7.50576700   -1.63269200   -2.72435500
 C                 -0.21932500   -2.22949500    0.55572700
 O                  0.27911200   -3.22810900    1.06278800
 N                  0.28558100   -0.96946700    0.65724800
 C                  3.85446700   -5.14120100    0.99902500
 C                  3.43775800   -3.82934800    1.00710300
 C                  3.34802100   -3.07991200   -0.19922500
 C                  3.67208900   -3.74248900   -1.42766000
 C                  4.09745000   -5.09724200   -1.40214200
 C                  4.19581900   -5.78418900   -0.21439300
 H                  3.90990300   -5.69272000    1.93373600
 H                  3.14823300   -3.35923500    1.93888100
 C                  2.96042100   -1.69611100   -0.21465400
 C                  3.54006500   -3.02693800   -2.64541900
 H                  4.34221300   -5.58187100   -2.34476500
 H                  4.52351800   -6.82037500   -0.20545000
 C                  3.11175400   -1.72456300   -2.65914800
 C                  2.83933700   -1.04153700   -1.44042300
 H                  3.76141600   -3.53487500   -3.58127300
 H                  2.98147800   -1.18863800   -3.59084300
 C                  5.92900200    0.18400200    3.62868400
 C                  4.63277000    0.49108200    3.97369200
 C                  3.54533900    0.11803400    3.13973500
 C                  3.80441300   -0.59054400    1.91980500
 C                  5.15788100   -0.87622300    1.58754200
 C                  6.18998800   -0.50345500    2.42038200
 H                  2.01421600    0.97458900    4.41020000
 H                  6.75137700    0.46875100    4.27981000
 H                  4.41812900    1.02444700    4.89699700
 C                  2.20516500    0.43333000    3.48658100
 C                  2.70522800   -0.97550400    1.07475000
 H                  5.37316300   -1.39666900    0.66158200
 H                  7.21427400   -0.74293900    2.14696400
 C                  1.41409200   -0.65540400    1.47373600
 C                  1.16595600    0.05686600    2.67596900
 H                  0.13399600    0.27554100    2.93032100
 N                  2.38245700    0.30437500   -1.52255300
 C                  4.81308700    1.73051800   -1.54318300
 C                  4.93878900    2.61702800   -0.47028800
 C                  5.90954800    1.00160100   -2.00519600
 C                  6.17860000    2.76514500    0.14326000
 H                  4.08062700    3.19299600   -0.14040800
 C                  7.14323800    1.16234400   -1.37509800
 H                  5.80029100    0.33895500   -2.85659000
 C                  7.29698800    2.03888300   -0.29346400
 H                  6.28126900    3.45828900    0.97453700
 H                  8.00217200    0.60232100   -1.73670000
 C                  8.62818800    2.19204500    0.40214000
 H                  8.86423000    3.24577700    0.58880900
 H                  8.61817800    1.68599700    1.37628600
 H                  9.44278000    1.76080400   -0.18791700
 H                 -0.30079800   -0.15093900    0.44177500
 H                  1.91732900    0.68303300   -0.69996900
 O                  3.46882700    1.07763800   -3.70569500
 O                  2.43024300    2.74081000   -2.06490900
 C                 -0.09731000    5.66800000   -0.98918100
 C                 -0.23314600    4.31884400   -0.66326700
 C                 -1.24453800    3.90828600    0.21501900
 C                 -2.11479000    4.86067300    0.76296600
 C                 -1.97486500    6.20886800    0.43772300
 C                 -0.96570000    6.61458700   -0.44001500
 H                  0.68855900    5.97788700   -1.67300400
 H                  0.43821100    3.57840700   -1.08420500
 H                 -2.89229700    4.52770700    1.44231200
 H                 -2.65085600    6.94413800    0.86766500
 H                 -0.85719500    7.66624300   -0.69475800
 C                 -1.38448700    2.45197700    0.56071200
 O                 -2.39014600    2.14437300    1.31260300
 O                 -0.55915700    1.62738300    0.10895000
 H                 -3.72359200   -3.42670300    1.41810200
 S                  3.21761400    1.53677200   -2.33826800
 N                 -2.56529000   -1.43026600   -0.13950100
 O                 -2.62213476   -0.44678926    1.81926180
 H                 -2.35618692    1.14485695    1.66390693
 H                 -3.09665076   -0.37846826    2.66483780

 1 2 1.0 11 1.0 12 1.0 24 1.0
 2 3 1.0 13 1.0 14 1.0
 3 4 1.0 114 1.5 115 1.0
 4 15 1.0 16 1.0 112 1.0
 5 10 1.0 24 1.0 38 1.0 39 1.0
 6 7 1.0 22 1.0 23 1.0 114 1.0
 7 8 1.0 20 1.0 21 1.0
 8 9 1.0 18 1.0 19 1.0
 9 17 1.0 44 1.0 114 1.0
 10
 11
 12
 13
 14
 15
 16
 17
 18
 19
 20
 21
 22
 23
 24 25 1.0 26 1.0
 25 27 1.0 34 2.0
 26 28 1.0 33 2.0
 27 29 1.0 30 1.0 35 1.0
 28 29 1.0 31 1.0 37 1.0
 29 32 1.0 36 1.0
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39 40 2.0 43 1.0
 40 41 1.0 42 1.0
 41
 42
 43
 44 45 2.0 46 1.5
 45
 46 76 1.0 94 1.0
 47 48 2.0 52 1.5 53 1.0
 48 49 1.5 54 1.0
 49 50 1.5 55 1.5
 50 51 1.5 56 1.5
 51 52 2.0 57 1.0
 52 58 1.0
 53
 54
 55 60 1.5 73 1.0
 56 59 2.0 61 1.0
 57
 58
 59 60 1.5 62 1.0
 60 79 1.0
 61
 62
 63 64 2.0 68 1.5 70 1.0
 64 65 1.5 71 1.0
 65 66 1.5 72 1.5
 66 67 1.5 73 1.5
 67 68 2.0 74 1.0
 68 75 1.0
 69 72 1.0
 70
 71
 72 77 2.0
 73 76 1.5
 74
 75
 76 77 1.5
 77 78 1.0
 78
 79 95 1.0 113 1.0
 80 81 1.5 82 1.5 113 1.0
 81 83 1.5 84 1.0
 82 85 1.5 86 1.0
 83 87 1.5 88 1.0
 84
 85 87 1.5 89 1.0
 86
 87 90 1.0
 88
 89
 90 91 1.0 92 1.0 93 1.0
 91
 92
 93
 94
 95
 96 113 2.0
 97 113 2.0
 98 99 1.5 103 1.5 104 1.0
 99 100 1.5 105 1.0
 100 101 1.5 109 1.0
 101 102 1.5 106 1.0
 102 103 1.5 107 1.0
 103 108 1.0
 104
 105
 106
 107
 108
 109 110 1.5 111 2.0
 110 116 1.0
 111
 112
 113
 114
 115 117 1.0
 116
 117

