%chk=/scratch/rs000_5_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                 -4.28906900   -2.22492300    0.31229500
 C                 -4.00365100   -2.08307900   -1.19935100
 C                 -3.81108400   -0.65634900   -1.61366100
 C                 -4.88511800    0.27282100   -1.15719900
 C                 -5.27007500   -1.33136900    2.44444500
 C                 -2.63528800    1.12880500   -2.88879500
 C                 -1.19839200    1.15930700   -3.41707300
 C                 -0.88004300   -0.30568300   -3.75442200
 C                 -1.64824300   -1.13121200   -2.70440100
 H                 -4.27754800   -0.99857000    2.75996600
 H                 -4.63025400   -3.24740300    0.48678600
 H                 -3.34993300   -2.09338900    0.85562100
 H                 -3.16354300   -2.72339500   -1.46748800
 H                 -4.89168500   -2.43448700   -1.74449800
 H                 -5.83230300   -0.06091000   -1.59950600
 H                 -4.70764100    1.30425700   -1.45902300
 H                 -2.02903200   -2.05988500   -3.12781600
 H                 -1.25202000   -0.56568100   -4.75228600
 H                  0.18981700   -0.52605600   -3.72875900
 H                 -1.11177300    1.81243800   -4.28954500
 H                 -0.53351900    1.54322000   -2.64047100
 H                 -3.37486000    1.23635400   -3.69057300
 H                 -2.82255100    1.86222100   -2.10326400
 C                 -5.31913700   -1.23051900    0.88034300
 C                 -6.74652200   -1.53613600    0.39512400
 C                 -4.95743900    0.22610400    0.42014400
 C                 -7.82628300   -0.54192300    0.80816800
 C                 -6.00397100    1.25804800    0.88950700
 C                 -7.43761800    0.91235600    0.45583000
 H                 -8.76162900   -0.83947000    0.32593900
 H                 -5.93884600    1.32563000    1.98102600
 H                 -7.54901000    1.05840200   -0.62648800
 O                 -3.68123600    0.50600500    0.93231900
 O                 -7.00171200   -2.50275000   -0.30461800
 H                 -7.97561100   -0.62211900    1.89325900
 H                 -8.14755300    1.60231800    0.92555900
 H                 -5.71002000    2.24292800    0.50844500
 H                 -5.98656100   -0.62516900    2.88045500
 C                 -5.55931600   -2.70863900    2.98131700
 C                 -4.72908400   -3.40997800    3.75425200
 H                 -4.99439900   -4.39303600    4.13388200
 H                 -3.75222400   -3.02501500    4.04016800
 H                 -6.52656100   -3.14129300    2.71918900
 C                 -0.81263200   -1.56576700   -1.47116200
 O                 -0.54626300   -2.75572600   -1.35373600
 N                 -0.42493400   -0.57747800   -0.62558300
 C                  2.46296800   -5.33110000   -0.69688600
 C                  2.16525400   -4.03616100   -0.33742400
 C                  2.58854900   -2.93578200   -1.13402500
 C                  3.30739100   -3.21957000   -2.34000000
 C                  3.59663100   -4.56660700   -2.68495200
 C                  3.19118500   -5.60466900   -1.87881900
 H                  2.12551500   -6.15310700   -0.07124700
 H                  1.58419500   -3.84458300    0.55653100
 C                  2.33030100   -1.57197300   -0.75936100
 C                  3.69873300   -2.13997500   -3.17261300
 H                  4.14595500   -4.75995800   -3.60365200
 H                  3.41898500   -6.63201700   -2.15012900
 C                  3.40745500   -0.84365400   -2.83529400
 C                  2.74358900   -0.54738500   -1.61098700
 H                  4.22088900   -2.35402400   -4.10228600
 H                  3.68706600   -0.02129000   -3.48151200
 C                  3.66781900   -1.74740400    4.26799500
 C                  2.37160100   -1.28661200    4.24368100
 C                  1.67889400   -1.11524900    3.01577800
 C                  2.34042800   -1.43012700    1.78267900
 C                  3.68686000   -1.88556400    1.84577900
 C                  4.32971600   -2.04419500    3.05383600
 H                 -0.14981400   -0.38378900    3.91751100
 H                  4.18442100   -1.88079700    5.21481200
 H                  1.85255800   -1.04658800    5.16878400
 C                  0.34471100   -0.63210200    2.98158900
 C                  1.63956800   -1.26730600    0.53545800
 H                  4.21032200   -2.11105200    0.92409600
 H                  5.35556500   -2.40253000    3.07291800
 C                  0.32686300   -0.81085100    0.56743300
 C                 -0.31567900   -0.48062300    1.79028100
 H                 -1.33777500   -0.11641100    1.75291200
 N                  2.47005600    0.82016000   -1.32320200
 C                  4.84406300    1.57918500    0.00206500
 C                  4.62393000    2.02594400    1.30798600
 C                  5.95974400    0.80353700   -0.31408100
 C                  5.53551200    1.68527400    2.30185200
 H                  3.76291600    2.64749600    1.52995900
 C                  6.86027700    0.47005400    0.69749600
 H                  6.12864200    0.48789700   -1.33766500
 C                  6.66335900    0.90053400    2.01553000
 H                  5.37135800    2.03732300    3.31732000
 H                  7.73568200   -0.12716000    0.45450800
 C                  7.63236400    0.52713400    3.11144700
 H                  7.17527100   -0.18402400    3.81136300
 H                  8.53741800    0.06318900    2.70771300
 H                  7.93306500    1.40473900    3.69536600
 H                 -0.82478000    0.38030000   -0.66821300
 H                  1.77575600    1.00494100   -0.60164000
 O                  4.39007600    1.97674700   -2.55867700
 O                  2.95998600    3.22242900   -0.84392000
 C                 -1.78705200    6.74079700    0.57222200
 C                 -2.19550000    5.42086400    0.38806500
 C                 -1.26271100    4.43081200    0.04985100
 C                  0.08490200    4.77920800   -0.10539500
 C                  0.49184700    6.10135100    0.07357100
 C                 -0.44120400    7.08366600    0.41420600
 H                 -2.51581800    7.50310800    0.83763500
 H                 -3.23568500    5.13435100    0.50183400
 H                  0.80470300    4.01400800   -0.37178300
 H                  1.53933800    6.36157000   -0.05520200
 H                 -0.12197300    8.11378700    0.55488700
 C                 -1.71159700    3.00365100   -0.14784000
 O                 -0.83210600    2.12227300   -0.36233800
 O                 -2.97019200    2.78576800   -0.10810300
 H                 -3.36525800    1.39583600    0.56305800
 S                  3.67420800    2.02217900   -1.28243500
 N                 -2.80110100   -0.25378700   -2.32633300

 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 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 2.0 111 2.0
 110
 111
 112
 113
 114






