%chk=/scratch/rs00_ts5new2_hou_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                  1.81715900   -3.11201900   -0.11397500
 C                  1.21243300   -2.19510100    0.95784600
 C                  1.95400800   -0.85316200    1.08156600
 C                  3.46075700   -1.13226300    1.29138700
 C                  3.82605200   -4.14155600   -1.24567000
 C                  1.96790200    1.32239000    2.36946300
 C                  1.20827700    1.80894300    3.60374800
 C                  1.06201900    0.51872900    4.42040500
 C                  0.83532300   -0.57880300    3.34545100
 H                  3.66428500   -3.48902500   -2.10760400
 H                  1.29934000   -4.07299300   -0.07071600
 H                  1.61968500   -2.70276200   -1.11099400
 H                  0.16345300   -1.99974400    0.71716700
 H                  1.23909900   -2.71994000    1.91639300
 H                  3.57459800   -1.62227100    2.26604400
 H                  4.01736400   -0.19050100    1.33628500
 H                  1.35984500   -1.49436500    3.63985000
 H                  1.99320300    0.30926800    4.95963600
 H                  0.25391700    0.54101600    5.15584700
 H                  1.74402500    2.59813900    4.13978000
 H                  0.22670400    2.20181300    3.31562400
 H                  3.04219700    1.24269900    2.60271600
 H                  1.85894400    1.99222500    1.51354600
 C                  3.33431500   -3.36661000    0.02904100
 C                  3.64056900   -4.24519700    1.26127600
 C                  4.10533900   -2.00849600    0.17994800
 C                  5.11019100   -4.42542000    1.63177800
 C                  5.60492200   -2.21253300    0.47513400
 C                  5.86831700   -3.08682100    1.70983600
 H                  5.15158700   -4.97501700    2.57633300
 H                  6.07163400   -2.65954200   -0.40977800
 H                  5.56861100   -2.55385700    2.62075100
 O                  3.96549700   -1.33375700   -1.08694400
 O                  2.76168600   -4.80354400    1.89321600
 H                  5.57657500   -5.05977400    0.86471800
 H                  6.94330200   -3.27614600    1.80882800
 H                  6.07107600   -1.22694400    0.60391700
 H                  4.90899300   -4.30739200   -1.18032600
 C                  3.14510900   -5.46704200   -1.46579200
 C                  2.47517900   -5.79665300   -2.57089100
 H                  2.01928600   -6.77591300   -2.69100400
 H                  2.35583300   -5.09930100   -3.39751700
 H                  3.22700300   -6.20047600   -0.66213600
 C                 -0.65778200   -0.97471000    3.28368100
 O                 -1.11584200   -1.76016800    4.10448400
 N                 -1.35641700   -0.32965700    2.29807500
 C                 -3.89030000    4.35979000    2.63453800
 C                 -3.65949200    3.11054600    2.10206800
 C                 -2.68975300    2.91362900    1.07872800
 C                 -1.94773600    4.05458000    0.62771000
 C                 -2.21510100    5.33015200    1.19224300
 C                 -3.16687600    5.48431700    2.17370800
 H                 -4.63532600    4.48228200    3.41595800
 H                 -4.22075900    2.25795100    2.46631500
 C                 -2.42531600    1.61579500    0.50848100
 C                 -0.95019500    3.88010500   -0.36667000
 H                 -1.64723400    6.18538700    0.83330900
 H                 -3.36206900    6.46530000    2.59843100
 C                 -0.68757200    2.63809000   -0.88279600
 C                 -1.41966000    1.49898200   -0.44606600
 H                 -0.39111400    4.74700500   -0.71044300
 H                  0.07852500    2.50331700   -1.63784600
 C                 -7.30850000   -0.00479000   -0.19618700
 C                 -6.75527300   -0.87488900    0.71587500
 C                 -5.39798500   -0.75188000    1.11444400
 C                 -4.59049700    0.29622700    0.56219500
 C                 -5.19303700    1.16942100   -0.38811400
 C                 -6.51253400    1.02361700   -0.75433800
 H                 -5.42792800   -2.42580800    2.48539700
 H                 -8.35100000   -0.10275900   -0.48725800
 H                 -7.35318700   -1.67085600    1.15468700
 C                 -4.81619100   -1.63309600    2.06077100
 C                 -3.22877200    0.44120200    0.98519700
 H                 -4.59702300    1.96023000   -0.83050300
 H                 -6.94688300    1.70554300   -1.48064400
 C                 -2.70246300   -0.46111200    1.91188000
 C                 -3.50776500   -1.50373800    2.45022900
 H                 -3.06848100   -2.16703600    3.18245600
 N                 -1.03735700    0.19679500   -0.93381800
 C                 -2.80991300   -1.07679200   -2.61901600
 C                 -2.98744800   -2.22035100   -1.83668900
 C                 -3.80106100   -0.64669900   -3.49904700
 C                 -4.18394500   -2.92252300   -1.92808400
 H                 -2.20461400   -2.54862500   -1.16149500
 C                 -4.99266300   -1.36656600   -3.58030100
 H                 -3.63387500    0.23632300   -4.10581100
 C                 -5.20684400   -2.50463400   -2.79397800
 H                 -4.33063600   -3.80722900   -1.31373700
 H                 -5.77048100   -1.03353200   -4.26307600
 C                 -6.52103700   -3.24486000   -2.84398300
 H                 -7.01935800   -3.11665800   -3.81042700
 H                 -6.38671800   -4.31744900   -2.66799400
 H                 -7.20139900   -2.86757900   -2.06919800
 H                 -0.76493400    0.25280600    1.71300300
 H                 -0.04748600   -0.00594100   -0.73183300
 O                 -1.39093600    0.99672200   -3.40675200
 O                 -0.16300100   -1.16655100   -2.83394300
 C                  6.68593500    4.89691300   -2.14467100
 C                  6.12617100    3.68997800   -1.73482100
 C                  4.74937800    3.60328500   -1.48488100
 C                  3.93715800    4.73477700   -1.64863400
 C                  4.50165000    5.94041900   -2.05963600
 C                  5.87413500    6.02281500   -2.30767800
 H                  7.75276000    4.96120300   -2.33915300
 H                  6.73691500    2.80291000   -1.60487900
 H                  2.87302300    4.66113100   -1.45478300
 H                  3.87155900    6.81594600   -2.18831200
 H                  6.31104700    6.96447200   -2.62929900
 C                  4.19019200    2.29560600   -1.05442800
 O                  2.87032100    2.31198300   -0.86008900
 O                  4.88836100    1.29556000   -0.89226300
 H                  4.43910600   -0.47194000   -1.03470700
 S                 -1.24824100   -0.20702100   -2.57748500
 N                  1.34854000    0.01032800    2.09095500
 O                  1.80039300   -0.11750900   -0.17505400
 H                  2.54512400    1.42139600   -0.54691300
 H                  2.35790700   -0.61072600   -0.83027000

 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 1.0 115 1.0
 4 15 1.0 16 1.0 26 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 1.0
 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
 33 112 1.0
 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

