%chk=rs00_ts1_2_cis_scrf.chk
%nproc=8
%mem=19800MB
#p rm062x/6-31+g(d,p) int=ultrafine scrf=(solvent=cyclohexanone,smd) geom=connectivity

Title Card Required

0 1
 C                 -5.78100100   -1.24438200    0.42373100
 C                 -4.61052900   -0.41311600    0.97387800
 C                 -3.29522000   -1.14998400    1.31061100
 C                 -3.48468200   -2.40604500    2.16570300
 C                 -8.17748800   -1.35293200   -0.46782000
 C                 -2.52987400   -0.74836000   -1.28902400
 C                 -1.41808100   -1.31356400   -2.20103300
 C                 -1.12835600   -2.73214600   -1.66613200
 C                 -1.54370100   -2.68875600   -0.18187900
 H                 -8.48264500   -1.93412500    0.40990600
 H                 -5.48479400   -1.82775200   -0.45403600
 H                 -6.12075000   -1.95319500    1.18421400
 H                 -4.37045900    0.41947400    0.30632200
 H                 -4.91105200    0.03576900    1.92648500
 H                 -3.97336700   -2.09955900    3.09644100
 H                 -2.51461300   -2.83823300    2.42132800
 H                 -1.86984800   -3.66085300    0.18672300
 H                 -1.74365300   -3.47660000   -2.18716400
 H                 -0.08270700   -3.02656500   -1.78484300
 H                 -1.72819900   -1.33587800   -3.24932400
 H                 -0.52891300   -0.68225800   -2.13404600
 H                 -3.47961200   -0.57355200   -1.79546400
 H                 -2.21043600    0.17300100   -0.80437500
 C                 -6.99948000   -0.39782800   -0.00393200
 C                 -6.65616600    0.50750800   -1.20460500
 C                 -7.58550800    0.37360400    1.20488600
 C                 -7.49021700    1.75990600   -1.42616100
 C                 -8.37600500    1.64648300    0.93723900
 C                 -7.70937100    2.53716900   -0.11975200
 H                 -6.98797400    2.36032800   -2.18935000
 H                 -9.37803200    1.35375300    0.58681900
 H                 -6.74680200    2.90604000    0.25707800
 O                 -7.45558600   -0.06852400    2.32974900
 O                 -5.76225500    0.20378400   -1.97610700
 H                 -8.46592300    1.45776100   -1.83732900
 H                 -8.32977100    3.41883600   -0.31123600
 H                 -8.50741900    2.15948300    1.89385500
 H                 -9.03985900   -0.73509500   -0.75592300
 C                 -7.82918900   -2.28041200   -1.60032800
 C                 -7.89206300   -3.61065600   -1.52176200
 H                 -7.65911000   -4.24336100   -2.37396700
 H                 -8.19133700   -4.11811900   -0.60682500
 H                 -7.52313100   -1.81500100   -2.53639200
 C                 -0.36635000   -2.31808800    0.75500900
 O                  0.04808200   -3.20208600    1.49602600
 N                  0.24206900   -1.11139000    0.58259200
 C                  3.67091500   -5.16174700    1.00917400
 C                  3.29705200   -3.83651200    0.99925700
 C                  3.28365700   -3.08786900   -0.21127300
 C                  3.64125200   -3.76189400   -1.42468300
 C                  4.02452600   -5.12841700   -1.37909000
 C                  4.04706400   -5.81617400   -0.18750600
 H                  3.66605700   -5.71344700    1.94528400
 H                  2.97839700   -3.35739700    1.91703600
 C                  2.93218500   -1.69497000   -0.24545000
 C                  3.57978400   -3.04420000   -2.64706100
 H                  4.29706000   -5.62235200   -2.30921400
 H                  4.34185000   -6.86195900   -0.16373000
 C                  3.17912500   -1.73336000   -2.68054700
 C                  2.86732400   -1.04247100   -1.47545500
 H                  3.83019700   -3.55809500   -3.57230300
 H                  3.09574900   -1.19894000   -3.61836600
 C                  5.77969100    0.27161300    3.64717000
 C                  4.46750700    0.51315300    3.98438300
 C                  3.40632200    0.10861100    3.13137000
 C                  3.71282200   -0.55652400    1.89803800
 C                  5.07985900   -0.77836600    1.57585900
 C                  6.08521900   -0.37935000    2.42904200
 H                  1.82304800    0.84583900    4.41304900
 H                  6.58134200    0.57873700    4.31380500
 H                  4.22008900    1.01476400    4.91713500
 C                  2.04841900    0.34154500    3.47650000
 C                  2.63997600   -0.97651700    1.03763500
 H                  5.32651200   -1.27044600    0.64175700
 H                  7.12213000   -0.56932300    2.16471400
 C                  1.33420700   -0.73301700    1.43219400
 C                  1.03486100   -0.06993700    2.64967900
 H                 -0.00875900    0.08331600    2.90417100
 N                  2.41919900    0.30451500   -1.57351500
 C                  4.83157600    1.76076100   -1.54790400
 C                  4.91529100    2.66326000   -0.48422600
 C                  5.95174300    1.04594200   -1.97356100
 C                  6.13697000    2.84181500    0.15683900
 H                  4.03942500    3.22816300   -0.18292300
 C                  7.16671800    1.23708400   -1.31605000
 H                  5.87560000    0.37164100   -2.81945500
 C                  7.27867000    2.13089000   -0.24343400
 H                  6.20700800    3.54780800    0.98065400
 H                  8.04415300    0.68854600   -1.64975400
 C                  8.59051600    2.32020300    0.47960100
 H                  8.80715400    3.38159100    0.64539100
 H                  8.56492000    1.83851400    1.46570500
 H                  9.42495100    1.88679400   -0.08031500
 H                 -0.30802400   -0.29945700    0.27458700
 H                  1.91228500    0.68571500   -0.77648500
 O                  3.55762700    1.05672600   -3.73590800
 O                  2.45302800    2.73205400   -2.15258400
 C                  0.03352900    5.62505400   -0.83877000
 C                 -0.13206900    4.25617800   -0.63042700
 C                 -1.13273100    3.79548800    0.23517300
 C                 -1.96271800    4.71680000    0.88916500
 C                 -1.79227400    6.08439400    0.68119700
 C                 -0.79395300    6.54064000   -0.18415200
 H                  0.81051400    5.97448800   -1.51356200
 H                  0.50694700    3.53977800   -1.13478100
 H                 -2.73169300    4.34520500    1.55792400
 H                 -2.43570900    6.79543500    1.19364500
 H                 -0.66191400    7.60771200   -0.34689400
 C                 -1.30480800    2.32052000    0.45154700
 O                 -2.31545300    1.97818700    1.18815300
 O                 -0.51105200    1.51315200   -0.07881900
 H                 -4.11307200   -3.16886000    1.69153700
 S                  3.26152700    1.53329000   -2.38345800
 N                 -2.75845200   -1.78244900   -0.20890800
 O                 -2.34770200   -0.36672900    1.77991700
 H                 -3.52534600   -2.37936200   -0.52296500
 H                 -2.34779300    0.79524800    1.44899600

 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 1.0 115 1.5
 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 2.0
 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
 111
 112
 113
 114 116 1.0
 115
 116
 117





