%chk=rs00_ts3_trans_freq_qiana_scrf.chk
%nproc=4
%mem=6800MB
#p rm062x/6-31+g(d,p) int=ultrafine scrf=(solvent=cyclohexanone,smd) geom=connectivity

Title Card Required

0 1
 C                  4.95341300   -1.42540100   -1.02769000
 C                  3.62394000   -0.62961200   -1.03916000
 C                  2.52308600   -1.44170800   -1.65609900
 C                  2.38411600   -1.38609200   -3.14295400
 C                  7.42327500   -1.51551700   -0.38823500
 C                  1.81895900   -2.24310500    0.58163700
 C                  0.71220100   -3.22881100    0.97158700
 C                  0.57066500   -4.14501400   -0.25101800
 C                  0.79206700   -3.20164700   -1.45066200
 H                  7.70315200   -1.58806000   -1.44563600
 H                  4.82012900   -2.38639800   -0.52544400
 H                  5.27252300   -1.62706300   -2.05443300
 H                  3.35564900   -0.33907600   -0.02406200
 H                  3.72954200    0.28078100   -1.62961200
 H                  3.36922600   -1.28146000   -3.60717100
 H                  1.82224800   -0.46469600   -3.33956900
 H                  1.24036800   -3.73114500   -2.29095000
 H                  1.35012100   -4.91627800   -0.24982200
 H                 -0.40000200   -4.64111200   -0.31604200
 H                  0.96857300   -3.77745200    1.88152200
 H                 -0.21990200   -2.68885200    1.15650400
 H                  2.81513100   -2.56647900    0.89505200
 H                  1.62283900   -1.23495400    0.94825700
 C                  6.08957400   -0.66371300   -0.31588800
 C                  5.76300300   -0.45048300    1.17825100
 C                  6.41827100    0.65110400   -1.06784500
 C                  6.45304800    0.69143900    1.90608200
 C                  7.06809600    1.78465000   -0.28939100
 C                  6.41916100    1.99135900    1.08660700
 H                  5.96997100    0.80182200    2.88051800
 H                  8.13341600    1.53855300   -0.15764100
 H                  5.38289900    2.33124400    0.96383500
 O                  6.19517800    0.73935800   -2.26003400
 O                  4.99127300   -1.19772200    1.75415000
 H                  7.50012200    0.40471400    2.08969400
 H                  6.94506600    2.78336700    1.62969100
 H                  7.01941500    2.68175000   -0.91243100
 H                  8.22416300   -0.95563600    0.11457800
 C                  7.32184700   -2.89209200    0.21134000
 C                  7.56018400   -4.01832300   -0.46236000
 H                  7.50214000   -4.99171300    0.01690000
 H                  7.83389000   -4.01054500   -1.51559000
 H                  7.04834200   -2.94686600    1.26416200
 C                 -0.54817700   -2.64047000   -1.98538100
 O                 -1.14609900   -3.34624400   -2.79245300
 N                 -1.00004700   -1.47811100   -1.46667500
 C                 -3.85478800   -5.14846900   -0.10949000
 C                 -3.64325600   -3.80851300   -0.35343900
 C                 -3.31136100   -2.91488800    0.70396200
 C                 -3.19719200   -3.44829700    2.03091700
 C                 -3.42803400   -4.83296700    2.24720000
 C                 -3.75173400   -5.66865300    1.20243400
 H                 -4.10219000   -5.81134900   -0.93420700
 H                 -3.70800200   -3.42750800   -1.36627200
 C                 -3.09830200   -1.51114600    0.48761600
 C                 -2.84275000   -2.57756900    3.09519300
 H                 -3.34279400   -5.22068600    3.25995400
 H                 -3.92686700   -6.72632700    1.38102600
 C                 -2.59766600   -1.24789900    2.86484300
 C                 -2.73310600   -0.70510900    1.55777500
 H                 -2.75056300   -2.98410900    4.09961900
 H                 -2.29329300   -0.59332900    3.67446500
 C                 -7.03986500    0.79335200   -1.98970400
 C                 -6.01690900    0.72013400   -2.90769700
 C                 -4.76141600    0.15379000   -2.55994300
 C                 -4.56329900   -0.34811900   -1.23184200
 C                 -5.64124800   -0.25673100   -0.30803200
 C                 -6.84670300    0.30035000   -0.67729400
 H                 -3.85133000    0.45560300   -4.50299600
 H                 -7.99591700    1.22842500   -2.26884000
 H                 -6.15395500    1.09664000   -3.91895300
 C                 -3.69676800    0.07480900   -3.49638900
 C                 -3.29721000   -0.92442700   -0.87758200
 H                 -5.49976300   -0.61713700    0.70489200
 H                 -7.65456300    0.36318200    0.04667700
 C                 -2.28751800   -0.96135400   -1.82500200
 C                 -2.48810400   -0.46353900   -3.13660300
 H                 -1.66554500   -0.51528700   -3.84180300
 N                 -2.44551800    0.67180300    1.29268400
 C                 -3.09994500    3.27414500    1.32057600
 C                 -2.19648800    4.32937100    1.41975000
 C                 -4.16868400    3.32015100    0.41985900
 C                 -2.36372400    5.44382700    0.59577700
 H                 -1.37729900    4.27390800    2.12730500
 C                 -4.31836800    4.43889500   -0.39165100
 H                 -4.86829800    2.49332600    0.35880600
 C                 -3.41908900    5.51589000   -0.31969200
 H                 -1.65849000    6.26808300    0.66721100
 H                 -5.14660000    4.47759300   -1.09530800
 C                 -3.58750700    6.71446200   -1.22328500
 H                 -2.91485600    7.52926600   -0.93828500
 H                 -3.37168400    6.45528100   -2.26785200
 H                 -4.61461900    7.09686100   -1.19288100
 H                 -0.42788100   -0.86350900   -0.85012500
 H                 -1.48893200    0.82308900    0.92320600
 O                 -4.24382600    1.44868200    2.89496800
 O                 -1.84658700    2.15445700    3.35764300
 C                  1.74442900    3.73505800    2.32725900
 C                  1.21348400    2.62961500    1.65965500
 C                  1.47890300    2.43025600    0.29847900
 C                  2.28328400    3.35402100   -0.38347800
 C                  2.81148700    4.46060300    0.28161200
 C                  2.54427500    4.65226700    1.64105100
 H                  1.52989100    3.87888600    3.38325600
 H                  0.58608200    1.92102600    2.18884900
 H                  2.47460400    3.18712000   -1.43870400
 H                  3.42484600    5.17767600   -0.25928900
 H                  2.95418300    5.51493500    2.16110000
 C                  0.94816400    1.21326300   -0.43658500
 O                  1.34663100    1.01223500   -1.60646600
 O                  0.17011900    0.42918600    0.21690500
 H                  1.85328500   -2.22941600   -3.58493100
 S                 -2.92367100    1.85264000    2.39713700
 N                  1.77582600   -2.21297600   -0.92034900

 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 2.0
 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 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 2.0 111 2.0
 110
 111
 112
 113
 114

