%nproc=8
%chk=sr_Ts_nobenzoicacid_b97d2_scrfb97d.chk
%mem=19800MB
#p rb97d/6-31+g(d,p)  scrf=(solvent=cyclohexanone,smd) geom=connectivity

Title Card Required

0 1
 C                 -4.17048800   -1.79846300    1.36743400
 C                 -5.04925400   -0.83004200    0.52300200
 C                 -4.23599700   -0.14153200   -0.53364100
 C                 -3.63824800   -0.99999400   -1.51961800
 C                 -2.29113300   -3.43155100    1.48557600
 C                 -3.95310200    1.89645800    0.86054500
 C                 -3.38223300    3.27335800    0.48949800
 C                 -3.77047700    3.40483000   -0.99404300
 C                 -3.43823600    1.99817200   -1.55006800
 H                 -1.57839200   -4.08195400    0.96696100
 H                 -3.52423200   -1.20945700    2.03195100
 H                 -4.84230200   -2.41816600    1.97779300
 H                 -5.80169600   -1.44273400    0.00579400
 H                 -5.56482800   -0.11759600    1.18054700
 H                 -3.06280600   -0.51223000   -2.31128700
 H                 -4.30024700   -1.78590400   -1.89132700
 H                 -4.06092500    1.73130400   -2.41434500
 H                 -4.85051200    3.59825500   -1.09711100
 H                 -3.21307700    4.17630600   -1.53726100
 H                 -3.79517900    4.07048900    1.12191200
 H                 -2.29010700    3.27402100    0.59630900
 H                 -5.01030200    1.96948500    1.16128600
 H                 -3.38463400    1.36656300    1.63579600
 C                 -3.26202600   -2.70288000    0.51505300
 C                 -4.04409000   -3.74174300   -0.29562600
 C                 -2.39679100   -1.79595900   -0.46595100
 C                 -3.19931800   -4.60044400   -1.24085100
 C                 -1.55878900   -2.63668100   -1.45899100
 C                 -2.35843100   -3.71956900   -2.20642700
 H                 -2.50870200   -5.21405900   -0.63906900
 H                 -1.07304200   -1.94627400   -2.16665000
 H                 -1.67325500   -4.36694600   -2.77576200
 O                 -1.72714700   -0.86380000    0.18680000
 O                 -5.26783700   -3.85227600   -0.24162800
 H                 -3.87025200   -5.27383300   -1.79248200
 H                 -3.03142800   -3.24886200   -2.94142300
 H                 -0.75741900   -3.10036200   -0.85931500
 H                 -1.70886800   -2.67693100    2.03017700
 C                 -1.96847400    1.99040900   -2.06306700
 O                 -1.70960900    2.76586100   -2.98902200
 N                 -1.09042400    1.16722100   -1.44097400
 C                 -0.12957300    5.17716700    0.55370500
 C                  0.29994700    3.91886300    0.15904600
 C                  0.32009300    2.82981000    1.08221500
 C                 -0.10606000    3.07005100    2.44080300
 C                 -0.53281200    4.37744200    2.81390600
 C                 -0.54862300    5.41221000    1.89132000
 H                 -0.14676300    5.99353800   -0.17111600
 H                  0.60663500    3.74306100   -0.87171700
 C                  0.71630500    1.50415100    0.69819000
 C                 -0.10585900    1.98678700    3.36855800
 H                 -0.85206900    4.54644600    3.84550100
 H                 -0.88204900    6.40842200    2.18945200
 C                  0.24066200    0.70969000    2.97155600
 C                  0.63580700    0.46204200    1.62320800
 H                 -0.41851900    2.17758900    4.39820400
 H                  0.20358400   -0.12855400    3.66432400
 C                  5.38145800    1.32494300   -1.59203000
 C                  4.45817000    1.17889800   -2.61437000
 C                  3.06130100    1.13654800   -2.33650100
 C                  2.61275800    1.24283400   -0.96822600
 C                  3.59218200    1.37084300    0.06087800
 C                  4.94251100    1.41196800   -0.24374400
 H                  2.44054200    0.93988100   -4.41007200
 H                  6.44844100    1.37178000   -1.81901200
 H                  4.78510900    1.10689400   -3.65491100
 C                  2.09455000    1.02110300   -3.37688700
 C                  1.20500500    1.25654600   -0.69317800
 H                  3.26094000    1.43336600    1.09683900
 H                  5.67576100    1.50521000    0.55876200
 C                  0.29860700    1.15133000   -1.74719600
 C                  0.74231000    1.02627800   -3.09386700
 H                 -0.00098800    0.96126900   -3.88618000
 N                  0.76894400   -0.86030100    1.10493500
 C                  3.25160300   -1.96301200    1.00610000
 C                  3.30576700   -1.96889200   -0.39813200
 C                  4.41688800   -1.91479100    1.77778700
 C                  4.54968400   -1.93377200   -1.02810000
 H                  2.38426300   -1.97970800   -0.97919000
 C                  5.65916300   -1.87098200    1.12539800
 H                  4.34515600   -1.91025900    2.86513600
 C                  5.74352400   -1.88419900   -0.27732000
 H                  4.60040800   -1.91920800   -2.11807100
 H                  6.57728000   -1.82787800    1.71623900
 H                 -1.40826900    0.48107400   -0.70535200
 H                 -0.13003400   -1.16415100    0.64597100
 S                  1.64240400   -2.10890600    1.80827700
 O                  1.84972000   -1.90273000    3.26008300
 O                  0.99352600   -3.34130900    1.30261300
 N                 -3.85015300    1.12200200   -0.40852600
 H                 -2.86507000   -4.03576600    2.20638800
 C                  7.08061500   -1.82669500   -0.98287100
 H                  7.91376900   -1.79481100   -0.26434900
 H                  7.22425900   -2.70377500   -1.63623500
 H                  7.14016300   -0.93065700   -1.62279200

 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 1.5 90 1.5
 4 15 1.0 16 1.0
 5 10 1.0 24 1.0 38 1.0 91 1.0
 6 7 1.0 22 1.0 23 1.0 90 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 39 1.0 90 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 1.5
 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 41 1.5
 40
 41 71 1.0 85 1.0
 42 43 1.5 47 1.5 48 1.0
 43 44 1.5 49 1.0
 44 45 1.5 50 1.5
 45 46 1.5 51 1.5
 46 47 1.5 52 1.0
 47 53 1.0
 48
 49
 50 55 1.5 68 1.0
 51 54 2.0 56 1.0
 52
 53
 54 55 1.5 57 1.0
 55 74 1.0
 56
 57
 58 59 2.0 63 1.5 65 1.0
 59 60 1.5 66 1.0
 60 61 1.5 67 1.5
 61 62 1.5 68 1.5
 62 63 2.0 69 1.0
 63 70 1.0
 64 67 1.0
 65
 66
 67 72 2.0
 68 71 1.5
 69
 70
 71 72 1.5
 72 73 1.0
 73
 74 86 1.0 87 1.0
 75 76 1.5 77 1.5 87 1.0
 76 78 1.5 79 1.0
 77 80 1.5 81 1.0
 78 82 1.5 83 1.0
 79
 80 82 1.5 84 1.0
 81
 82 92 1.0
 83
 84
 85
 86
 87 88 2.0 89 2.0
 88
 89
 90
 91
 92 93 1.0 94 1.0 95 1.0
 93
 94
 95

