%chk=sr_Ts_nobenzoicacid_naphthalene_b97d.chk
%nproc=4
%mem=3400MB
#p opt(calcfc,ts,noeigen) b97d/6-31g(d) geom=connectivity  freq=noraman 

Title Card Required

0 1
 C                  4.02222000   -2.12431700   -1.44221000
 C                  5.07971100   -1.18551100   -0.79564600
 C                  4.45858500   -0.32116200    0.26752900
 C                  3.96707700   -0.99752300    1.41514600
 C                  2.03888200   -3.61978400   -1.19672600
 C                  4.10630600    1.54778200   -1.34160600
 C                  3.66729400    2.99820400   -1.09108500
 C                  4.25637400    3.28844400    0.30105600
 C                  3.93552800    1.98623000    1.07679300
 H                  1.30909600   -4.10358200   -0.53720100
 H                  3.34753000   -1.53298900   -2.07635400
 H                  4.55290000   -2.85339700   -2.07085000
 H                  5.82925700   -1.82328700   -0.30708600
 H                  5.57744600   -0.59036000   -1.57306000
 H                  3.50582800   -0.40263700    2.20664300
 H                  4.57596500   -1.82980600    1.77088200
 H                  4.66124300    1.78691100    1.87701200
 H                  5.34853200    3.42249700    0.23980600
 H                  3.81585100    4.15866600    0.80147800
 H                  4.03586400    3.67749000   -1.87158100
 H                  2.57243800    3.06582900   -1.05939700
 H                  5.11908800    1.50942900   -1.77512400
 H                  3.41663800    0.97367000   -1.97435300
 C                  3.15473400   -2.86941900   -0.41119700
 C                  3.94720100   -3.89358100    0.40968400
 C                  2.45008700   -1.82305700    0.54355200
 C                  3.16338500   -4.57442100    1.53438100
 C                  1.72129100   -2.46380600    1.74396800
 C                  2.53234100   -3.53297000    2.49811500
 H                  2.35183100   -5.17021000    1.08430700
 H                  1.39855700   -1.65677900    2.41989600
 H                  1.88076000   -4.05702700    3.21468200
 O                  1.79050300   -0.90589500   -0.10364000
 O                  5.13498200   -4.13808400    0.20960000
 H                  3.84039800   -5.25700600    2.06697600
 H                  3.33175700   -3.05652900    3.08834900
 H                  0.80478100   -2.91477000    1.32475900
 H                  1.49623500   -2.89764300   -1.82007900
 C                  2.55802700    2.14407900    1.78060100
 O                  2.47718700    3.00783500    2.65936300
 N                  1.54754200    1.35071500    1.34504000
 C                  0.56881700    5.16203300   -0.90598100
 C                  0.13012500    3.97488100   -0.33945300
 C                 -0.09161000    2.81662300   -1.14573900
 C                  0.13600500    2.91797500   -2.56767600
 C                  0.57826100    4.15603500   -3.11782000
 C                  0.79592700    5.25804000   -2.30611500
 H                  0.74319500    6.03097300   -0.26817600
 H                 -0.02705000    3.90896700    0.73662500
 C                 -0.50780000    1.56065000   -0.58906900
 C                 -0.07071000    1.76664100   -3.37984700
 H                  0.74712900    4.21557200   -4.19611000
 H                  1.14018100    6.19990700   -2.73827500
 C                 -0.42529600    0.55128400   -2.82498600
 C                 -0.62825700    0.44025300   -1.41774600
 H                  0.09347900    1.84741400   -4.45733300
 H                 -0.51696100   -0.33570500   -3.44694500
 C                 -4.84087500    1.86681200    2.26220200
 C                 -3.80110100    1.78396100    3.17329300
 C                 -2.45381200    1.64081800    2.73311400
 C                 -2.17917800    1.57310900    1.31775100
 C                 -3.27610000    1.64612100    0.40857600
 C                 -4.57321000    1.79567300    0.86970400
 H                 -1.58304100    1.64133800    4.72433100
 H                 -5.86946900    1.97544400    2.61131400
 H                 -3.99518600    1.83533900    4.24777200
 C                 -1.36777700    1.59070100    3.65429400
 C                 -0.81848300    1.47991200    0.87235300
 H                 -3.07821700    1.58060700   -0.66071700
 H                 -5.39821400    1.84007200    0.15743700
 C                  0.21001100    1.44553100    1.81456000
 C                 -0.06335400    1.49387300    3.21096500
 H                  0.77213000    1.47866600    3.90797900
 N                 -0.82521800   -0.80350700   -0.73490900
 H                  1.72704700    0.59604300    0.64389600
 H                  0.06712200   -1.05332600   -0.23900800
 S                 -1.49097700   -2.20194400   -1.42067400
 O                 -1.03976400   -2.46956900   -2.80874500
 O                 -1.25501600   -3.24035000   -0.39135800
 N                  4.12228800    0.94800600    0.01970000
 H                  2.49027700   -4.38376900   -1.84971300
 C                 -3.25205700   -1.76938100   -1.48769900
 C                 -4.02505500   -1.59755700   -0.28969000
 C                 -3.81960100   -1.67140600   -2.75062400
 C                 -3.49700000   -1.64156200    1.03536100
 C                 -5.44255300   -1.35747700   -0.45610000
 C                 -5.20380900   -1.39719900   -2.89061800
 H                 -3.19617900   -1.82120300   -3.63097500
 C                 -4.32989900   -1.49757600    2.13179400
 H                 -2.43076500   -1.78404300    1.18120900
 C                 -6.26703100   -1.21993300    0.69873800
 C                 -5.99638200   -1.25627700   -1.76459400
 H                 -5.63690200   -1.31616900   -3.88889700
 C                 -5.72554500   -1.29703600    1.96879100
 H                 -3.90165700   -1.52091800    3.13460600
 H                 -7.33652000   -1.04769100    0.55540100
 H                 -7.06825700   -1.06673700   -1.86139600
 H                 -6.36409200   -1.18440400    2.84691400

 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 80 1.5
 4 15 1.0 16 1.0
 5 10 1.0 24 1.0 38 1.0 81 1.0
 6 7 1.0 22 1.0 23 1.0 80 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 80 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 75 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 76 1.0 77 1.0
 75
 76
 77 78 2.0 79 2.0 82 1.0
 78
 79
 80
 81
 82 83 1.5 84 1.5
 83 85 1.5 86 1.5
 84 87 1.5 88 1.0
 85 89 2.0 90 1.0
 86 91 1.5 92 1.5
 87 92 2.0 93 1.0
 88
 89 94 1.5 95 1.0
 90
 91 94 2.0 96 1.0
 92 97 1.0
 93
 94 98 1.0
 95
 96
 97
 98





