%chk=rs_structure_ts2_trans_hou_scrfm062x.chk %mem=19800MB %nproc=8 #p rm062x/6-31+g(d,p) scrf=(solvent=cyclohexanone,smd) geom=connectivity int=ultrafine Title Card Required 0 1 C 5.00184800 -0.05271400 -0.67221400 C 3.48272000 -0.00753100 -0.96624100 C 2.96513400 -1.36804600 -1.33939100 C 3.17084600 -1.85572200 -2.74565100 C 7.13939800 1.17126100 -0.00357500 C 2.27946900 -1.80128800 0.99864600 C 1.89341700 -3.12440300 1.68793900 C 2.27453000 -4.21819300 0.67407400 C 1.99735700 -3.54768100 -0.67888300 H 7.58809900 0.92061400 -0.97185400 H 5.21431400 -0.78013900 0.11482100 H 5.53761400 -0.37102300 -1.57158800 H 2.94032300 0.37912800 -0.10308900 H 3.28472200 0.65301500 -1.81072900 H 3.48709200 -1.03060300 -3.38380900 H 2.56592900 -4.00028800 -1.49174000 H 3.33687400 -4.48012600 0.75855100 H 1.68247900 -5.13001700 0.76811100 H 2.40885600 -3.23788800 2.64558300 H 0.81836600 -3.14393000 1.87704700 H 3.20545600 -1.37052300 1.38588900 H 1.48756400 -1.05217300 1.05612700 C 5.57766200 1.30890000 -0.23578400 C 4.95813000 1.77912100 1.09650500 C 5.44121000 2.35276500 -1.37341900 C 5.01790500 3.26278400 1.42511300 C 5.44831100 3.82883600 -1.00269100 C 4.58191700 4.12495200 0.22968200 H 4.39534000 3.43172400 2.30776600 H 6.48914500 4.12107400 -0.79416400 H 3.52630300 3.93312200 -0.00151500 O 5.37757400 1.98620300 -2.53077900 O 4.46030200 0.97828500 1.86864200 H 6.05275700 3.51899800 1.69917900 H 4.65613000 5.18567300 0.49061400 H 5.12573500 4.39101700 -1.88314100 H 7.53998200 2.15238000 0.28742500 C 7.53347200 0.14577900 1.02500800 C 8.33059200 -0.89399900 0.77517200 H 8.61155800 -1.59635700 1.55508400 H 8.74077500 -1.07824500 -0.21579500 H 7.14347500 0.28915000 2.03204700 C 0.47416900 -3.65369800 -1.03464500 O 0.10651300 -4.81107900 -1.28857700 N -0.20689400 -2.50725600 -0.92408700 C -2.01813900 -3.38176400 3.47284300 C -2.13674600 -2.80714400 2.22622200 C -1.68670100 -1.47829700 1.98461600 C -1.10013200 -0.75666800 3.07600100 C -0.99086000 -1.37867700 4.34835800 C -1.44084100 -2.66380500 4.54781300 H -2.37060000 -4.39731200 3.63248600 H -2.57591300 -3.36603200 1.40730800 C -1.81444500 -0.85804300 0.69799200 C -0.62811500 0.56097500 2.84546500 H -0.54345100 -0.81616600 5.16505700 H -1.35428700 -3.12965900 5.52585400 C -0.74149400 1.15033300 1.61070700 C -1.36110900 0.44920200 0.54037200 H -0.15919400 1.10351400 3.66313800 H -0.35191200 2.14537000 1.43393400 C -6.57709300 -1.40331800 -1.33199000 C -5.75241200 -2.21976900 -2.07526500 C -4.36544600 -2.31082600 -1.79624800 C -3.80522800 -1.53158300 -0.73031700 C -4.68684000 -0.70242200 0.01991100 C -6.03332400 -0.64278000 -0.27170900 H -3.92972800 -3.76483100 -3.33866200 H -7.63969900 -1.34723000 -1.55326400 H -6.15652400 -2.81724000 -2.88989300 C -3.50537200 -3.16989100 -2.53224500 C -2.40094500 -1.62454000 -0.45098700 H -4.28629800 -0.11417100 0.83948100 H -6.68203800 -0.00358900 0.32174600 C -1.57862100 -2.49077200 -1.19150600 C -2.17091700 -3.26606700 -2.24100300 H -1.53350100 -3.94578100 -2.79128100 N -1.44101600 1.04686200 -0.75380300 C -3.39265300 3.07333100 -0.35486400 C -4.54401100 2.88326400 -1.12191100 C -3.47166100 3.56360600 0.95070200 C -5.78430900 3.19157500 -0.56868100 H -4.46502900 2.51349200 -2.13841300 C -4.72239300 3.85891800 1.48827300 H -2.56816600 3.72543100 1.52729900 C -5.89518400 3.68236700 0.74013800 H -6.68139300 3.04695800 -1.16521800 H -4.78759100 4.23983200 2.50452400 C -7.24242000 4.04283500 1.31896400 H -7.49038000 5.09235100 1.11172700 H -8.04067200 3.42942200 0.88878100 H -7.25990300 3.91301400 2.40593300 H 2.24437000 -2.26651500 -3.15274000 H -1.93479200 0.45669300 -1.42502500 O -0.78938100 3.48453000 -0.36505600 O -1.92475300 2.72337300 -2.52620400 H 3.93880000 -2.63995800 -2.77149100 S -1.79597000 2.68495200 -1.06968900 N 2.47767100 -2.16485300 -0.43769800 O 0.84282000 -0.25632600 -2.25067700 H 0.37654100 0.51256200 -1.88122900 H 0.43100700 -1.02412300 -1.77328000 1 2 1.0 11 1.0 12 1.0 23 1.0 2 3 1.0 13 1.0 14 1.0 3 4 1.0 99 2.0 4 15 1.0 93 1.0 97 1.0 5 10 1.0 23 1.0 37 1.0 38 1.0 6 7 1.0 21 1.0 22 1.0 99 1.0 7 8 1.0 19 1.0 20 1.0 8 9 1.0 17 1.0 18 1.0 9 16 1.0 43 1.0 99 1.0 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 1.0 25 1.0 24 26 1.0 33 2.0 25 27 1.0 32 2.0 26 28 1.0 29 1.0 34 1.0 27 28 1.0 30 1.0 36 1.0 28 31 1.0 35 1.0 29 30 31 32 33 34 35 36 37 38 39 2.0 42 1.0 39 40 1.0 41 1.0 40 41 42 43 44 2.0 45 1.5 44 45 75 1.0 46 47 2.0 51 1.5 52 1.0 47 48 1.5 53 1.0 48 49 1.5 54 1.5 49 50 1.5 55 1.5 50 51 2.0 56 1.0 51 57 1.0 52 53 54 59 1.5 72 1.0 55 58 2.0 60 1.0 56 57 58 59 1.5 61 1.0 59 78 1.0 60 61 62 63 2.0 67 1.5 69 1.0 63 64 1.5 70 1.0 64 65 1.5 71 1.5 65 66 1.5 72 1.5 66 67 2.0 73 1.0 67 74 1.0 68 71 1.0 69 70 71 76 2.0 72 75 1.5 73 74 75 76 1.5 76 77 1.0 77 78 94 1.0 98 1.0 79 80 1.5 81 1.5 98 1.0 80 82 1.5 83 1.0 81 84 1.5 85 1.0 82 86 1.5 87 1.0 83 84 86 1.5 88 1.0 85 86 89 1.0 87 88 89 90 1.0 91 1.0 92 1.0 90 91 92 93 94 95 98 2.0 96 98 2.0 97 98 99 100 101 1.0 102 1.0 101 102