%nproc=8
%chk=rs_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                 -2.71079300   -1.85664000   -2.01595700
 C                 -4.13830100   -1.24166100   -1.85442400
 C                 -4.28453400   -0.65677400   -0.47219700
 C                 -4.35883500   -1.59018400    0.57677300
 C                 -0.73439200   -3.06846600   -1.06332300
 C                 -3.98968900    1.21903400    1.13268400
 C                 -3.57908100    2.68280500    0.90588500
 C                 -4.12922500    2.99136200   -0.49822000
 C                 -3.84048200    1.68282400   -1.27364700
 H                 -0.19208900   -2.11367300   -1.12124200
 H                 -2.71572700   -2.45833000   -2.93598800
 H                 -1.98335600   -1.04827600   -2.14063300
 H                 -4.29800300   -0.50229900   -2.65061900
 H                 -4.87153400   -2.04918100   -1.97426100
 H                 -4.81719600   -2.54578200    0.32931200
 H                 -4.49122800   -1.25579400    1.60485300
 H                 -4.55135500    1.53633100   -2.09612000
 H                 -5.21745200    3.16063600   -0.46347900
 H                 -3.64884000    3.85138600   -0.98121500
 H                 -3.98178100    3.34686400    1.68268100
 H                 -2.48585200    2.77214300    0.90772700
 H                 -4.99643700    1.13216300    1.57752100
 H                 -3.27131600    0.65838900    1.73997500
 C                 -2.24865700   -2.75543300   -0.84884000
 C                 -3.03221600   -4.08064600   -0.81930900
 C                 -2.34014400   -2.01997200    0.54960300
 C                 -2.74875500   -4.99588500    0.36874700
 C                 -2.25003700   -2.93986600    1.78306200
 C                 -3.04626800   -4.25099800    1.69458800
 H                 -3.35890200   -5.90379000    0.26474600
 H                 -1.17654500   -3.16994600    1.90021400
 H                 -4.12780300   -4.05410900    1.76723000
 O                 -1.71564300   -0.90142800    0.65193800
 O                 -3.86519400   -4.37232800   -1.67346200
 H                 -1.68367300   -5.28194400    0.36210300
 H                 -2.78066100   -4.90198000    2.54183600
 H                 -2.54052600   -2.35014100    2.66500100
 H                 -0.30885000   -3.65011400   -0.23524800
 C                 -2.43071700    1.75847300   -1.91846200
 O                 -2.28420200    2.46237900   -2.92015700
 N                 -1.43954100    1.08730500   -1.26472400
 C                 -0.64889000    5.25570400    0.09754900
 C                 -0.14887300    3.99169600   -0.17591200
 C                  0.10958600    3.06364500    0.87781800
 C                 -0.14514800    3.47862400    2.23739000
 C                 -0.64278800    4.79111600    2.48303200
 C                 -0.89741000    5.66302900    1.43650400
 H                 -0.85282300    5.94375400   -0.72526800
 H                  0.02449700    3.68653900   -1.20705500
 C                  0.57087400    1.72488000    0.63059100
 C                  0.07632600    2.55349600    3.29870700
 H                 -0.83018300    5.09149200    3.51700400
 H                 -1.28842200    6.66261100    1.63728200
 C                  0.46713400    1.25428000    3.03959600
 C                  0.70006800    0.83331200    1.69756300
 H                 -0.11105600    2.87722700    4.32539000
 H                  0.58933900    0.52997500    3.84194500
 C                  4.97985200    1.32146300   -2.09947300
 C                  3.96056600    1.03186300   -2.99152800
 C                  2.60116600    1.00921000   -2.56527800
 C                  2.29148400    1.28226700   -1.18141500
 C                  3.36833900    1.55831000   -0.28741800
 C                  4.67862800    1.57931800   -0.73554000
 H                  1.77928300    0.54521500   -4.52332900
 H                  6.01654500    1.35060900   -2.44090400
 H                  4.17970000    0.82993900   -4.04309600
 C                  1.53771500    0.75398400   -3.47854400
 C                  0.91799300    1.31188700   -0.76376500
 H                  3.14547900    1.75562900    0.76040200
 H                  5.48688400    1.78821400   -0.03322900
 C                 -0.08605000    1.06898400   -1.70020300
 C                  0.22194500    0.78239400   -3.06015700
 H                 -0.59699300    0.61047000   -3.75602400
 N                  0.88765700   -0.54356800    1.36155800
 C                  3.38677500   -1.59337800    1.09666600
 C                  3.24223300   -1.81514500   -0.28330700
 C                  4.64694400   -1.41542100    1.67642900
 C                  4.38285800   -1.85975300   -1.08458500
 H                  2.25008300   -1.92924600   -0.71805100
 C                  5.78212200   -1.45622500    0.85193300
 H                  4.73060900   -1.24439000    2.74934800
 C                  5.66823700   -1.67978800   -0.53082100
 H                  4.27813400   -2.01065800   -2.16034300
 H                  6.77207700   -1.31150300    1.29093900
 H                 -1.66644000    0.44309500   -0.47973700
 H                 -0.01479800   -0.98226500    1.08605400
 O                  2.31364900   -1.15058300    3.48432200
 O                  1.26250900   -2.94496000    1.96245500
 S                  1.91731800   -1.62599000    2.14052400
 N                 -4.02905200    0.64019100   -0.24073900
 H                 -0.58896600   -3.61991800   -2.00557800
 C                  6.88870000   -1.70997200   -1.42421400
 H                  7.81150200   -1.53327200   -0.85109700
 H                  6.98338400   -2.68248300   -1.93612500
 H                  6.81223400   -0.93640900   -2.20622500

 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 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 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 2.0 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 89 1.0
 75 76 1.5 77 1.5 89 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 89 2.0
 88 89 2.0
 89
 90
 91
 92 93 1.0 94 1.0 95 1.0
 93
 94
 95

