%nproc=8
%chk=rs_structure_ts2_trans_qian_scrfm062x.chk
%mem=19800MB
#p rm062x/6-31+g(d,p) scrf=(solvent=cyclohexanone,smd) geom=connectivity int=ultrafine

Title Card Required

0 1
 C                  4.92332200    0.19237700   -0.82286000
 C                  3.46244800    0.61564600   -0.61849500
 C                  2.42506700   -0.43933300   -1.07181300
 C                  2.48103800   -0.66441300   -2.58523500
 C                  7.42466700    0.67150000   -0.66014100
 C                  2.62161800   -1.66031900    1.13114300
 C                  2.47358100   -3.14267000    1.53494800
 C                  2.80072400   -3.91572700    0.24746600
 C                  2.23304300   -2.99505700   -0.85228100
 H                  7.51143600    0.57000700   -1.74815700
 H                  5.10683600   -0.74764600   -0.29872000
 H                  5.10307200    0.01169400   -1.88667100
 H                  3.29203300    0.83640400    0.44256100
 H                  3.24746000    1.53002900   -1.17995500
 H                  2.44643500    0.30255100   -3.09287200
 H                  2.73588200   -3.18945400   -1.80596900
 H                  3.88476700   -4.00013800    0.11210600
 H                  2.36438900   -4.91553100    0.20611900
 H                  3.12856700   -3.40825100    2.37021300
 H                  1.44375100   -3.34939000    1.84609500
 H                  3.56835000   -1.23406400    1.48389100
 H                  1.80992300   -1.05777900    1.56695800
 C                  5.96971500    1.22715400   -0.35909500
 C                  5.89500000    1.48652800    1.15870700
 C                  5.87311200    2.52703300   -1.19699100
 C                  6.50153200    2.77727900    1.69513500
 C                  6.44260200    3.81277400   -0.60916700
 C                  6.06858600    3.99661400    0.86752500
 H                  6.21406500    2.86488900    2.74646500
 H                  7.53875000    3.77259400   -0.70344000
 H                  4.98395900    4.14000800    0.96029400
 O                  5.39992600    2.50397600   -2.31636800
 O                  5.39578600    0.67111000    1.91384500
 H                  7.59809700    2.68822700    1.66204600
 H                  6.53878000    4.90309400    1.26347100
 H                  6.09626300    4.64111100   -1.23325400
 H                  8.16455400    1.42390500   -0.35209100
 C                  7.74449400   -0.64076200    0.00268200
 C                  8.13338900   -1.73456500   -0.65372200
 H                  8.37951700   -2.65496400   -0.13134500
 H                  8.22503300   -1.75131800   -1.73790600
 H                  7.65893600   -0.67238800    1.08823700
 C                  0.74781600   -3.37453600   -1.11496000
 O                  0.49671700   -4.51409900   -1.49437400
 N                 -0.19651600   -2.40254600   -0.88883300
 C                 -1.35267500   -3.00325100    3.65706800
 C                 -1.69928500   -2.57948800    2.39250400
 C                 -1.53427100   -1.22001800    2.00327200
 C                 -0.99616800   -0.30620400    2.96781400
 C                 -0.64456600   -0.77602300    4.26078500
 C                 -0.81796600   -2.09725900    4.60385100
 H                 -1.49327100   -4.04546400    3.93100100
 H                 -2.11207200   -3.28430000    1.67889900
 C                 -1.90356600   -0.74761800    0.70055300
 C                 -0.82381900    1.05136500    2.59331300
 H                 -0.23557900   -0.06734100    4.97741400
 H                 -0.54773000   -2.44710200    5.59627200
 C                 -1.17607800    1.50125700    1.34490300
 C                 -1.74033200    0.60410500    0.39347000
 H                 -0.39599700    1.74450100    3.31403100
 H                 -1.01358000    2.53371700    1.06130400
 C                 -6.66588200   -2.12047200   -0.86334400
 C                 -5.79654100   -2.90625000   -1.58558900
 C                 -4.39231100   -2.78560900   -1.41919600
 C                 -3.87017800   -1.82656500   -0.49083000
 C                 -4.79788800   -1.03413700    0.24221200
 C                 -6.15617300   -1.17866100    0.06076600
 H                 -3.87388000   -4.32473300   -2.84834300
 H                 -7.73930400   -2.22347500   -0.99726600
 H                 -6.17309900   -3.63812300   -2.29655500
 C                 -3.48094200   -3.59839400   -2.14079400
 C                 -2.44966100   -1.70821400   -0.31449400
 H                 -4.42193300   -0.31082600    0.95795900
 H                 -6.84209200   -0.56067900    0.63381700
 C                 -1.59267900   -2.53426600   -1.04948500
 C                 -2.12598000   -3.48404500   -1.96845300
 H                 -1.44035500   -4.11918300   -2.51035400
 N                 -2.07214500    1.05381200   -0.90120700
 C                 -4.18342600    2.87841200   -0.59333500
 C                 -5.34874800    2.43936800   -1.22690400
 C                 -4.24204400    3.54492900    0.63194200
 C                 -6.57932300    2.66918200   -0.61769600
 H                 -5.28899200    1.94676200   -2.19139400
 C                 -5.48310900    3.75982100    1.22924700
 H                 -3.33280800    3.91084200    1.09511600
 C                 -6.66750800    3.32469300    0.61981200
 H                 -7.48799200    2.33951700   -1.11538400
 H                 -5.53212300    4.28543700    2.17964300
 C                 -8.00684900    3.54373400    1.28221000
 H                 -7.96576800    4.36006100    2.01007200
 H                 -8.78320200    3.78138300    0.54710400
 H                 -8.33327000    2.64274100    1.81840700
 H                  1.62037300   -1.24915700   -2.92108400
 H                 -2.39807400    0.34072300   -1.54725400
 O                 -1.65973500    3.57450400   -0.83761600
 O                 -2.82198600    2.43191200   -2.81463300
 H                  3.39640900   -1.18499700   -2.87848200
 S                 -2.59607600    2.58745300   -1.37838200
 N                  2.58115700   -1.67242800   -0.34334300
 O                  1.10054000    0.15439100   -0.86059800
 H                  1.09623100    0.61403600   -0.00470000
 H                  0.15430500   -1.47287700   -0.64124900

 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 99 1.0 100 1.0
 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
 8 9 1.0 17 1.0 18 1.0
 9 16 1.0 43 1.0 99 1.0
 10
 11
 12
 13
 14
 15
 16
 17
 18
 19
 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 1.0 102 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
 100 101 1.0
 101
 102

