%nprocshared=4
%chk=sr_Ts_nobenzoicacid_NHCOCH3_b97da_scrfb97d.chk
%mem=14400MB
#p freq 6-31g(d) scrf=check guess=tcheck geom=(connectivity,allcheck)
genchk rb97d test

Title Card Required

0 1
 C                 -3.56274400    0.17042300    1.71145200
 C                 -3.99857200    1.33724400    0.77597900
 C                 -3.12330100    1.38920800   -0.43995300
 C                 -3.17651900    0.22044700   -1.28925400
 C                 -2.73911700   -2.16887600    1.96927500
 C                 -1.76040300    3.24385100    0.50398500
 C                 -0.72830900    4.15982200   -0.17299600
 C                 -1.19009700    4.15598100   -1.64171500
 C                 -1.51296900    2.66259700   -1.87406300
 H                 -2.51362400   -3.14088100    1.51610300
 H                 -2.59412500    0.42047400    2.16615100
 H                 -4.31947700    0.07358700    2.50296600
 H                 -5.02090400    1.11525200    0.43827900
 H                 -4.00750900    2.28309100    1.33260300
 H                 -2.56421800    0.25863000   -2.19610700
 H                 -4.19545900   -0.12525000   -1.48864200
 H                 -2.24654200    2.50735900   -2.67636800
 H                 -2.10382000    4.75956500   -1.76548800
 H                 -0.42985100    4.49791300   -2.35324300
 H                 -0.71868400    5.16078800    0.27953000
 H                  0.27823200    3.72864200   -0.08974600
 H                 -2.64105500    3.81475400    0.83510000
 H                 -1.36280100    2.66217100    1.34603200
 C                 -3.39984400   -1.17270600    0.97655200
 C                 -4.72646700   -1.74322200    0.47261700
 C                 -2.39534600   -0.97260100   -0.25738300
 C                 -4.61127600   -3.03612100   -0.33686200
 C                 -2.30407300   -2.24832800   -1.13516000
 C                 -3.66280500   -2.83881300   -1.55230200
 H                 -4.19505100   -3.82838000    0.30670900
 H                 -1.68963800   -2.00955200   -2.01776100
 H                 -3.51430700   -3.80844800   -2.05286100
 O                 -1.23155300   -0.50120200    0.14848300
 O                 -5.80831900   -1.17867700    0.63615000
 H                 -5.61798200   -3.33876100   -0.65777600
 H                 -4.15421500   -2.17707000   -2.28526800
 H                 -1.73346200   -2.98326000   -0.54211200
 H                 -1.78631100   -1.73706400    2.30246400
 C                 -0.20866100    1.92412300   -2.31202600
 O                  0.35612400    2.35461900   -3.32392200
 N                  0.19827700    0.89817600   -1.53187900
 C                  2.97284100    3.82731700    0.29063700
 C                  2.68668200    2.50689700   -0.02248700
 C                  2.17522800    1.61148700    0.96618600
 C                  1.98480700    2.11268200    2.30840900
 C                  2.28329300    3.47695500    2.59354100
 C                  2.76458000    4.32275000    1.60675500
 H                  3.35896700    4.49327700   -0.48378600
 H                  2.84096200    2.14086600   -1.03697500
 C                  1.84915900    0.24383000    0.67405000
 C                  1.50224000    1.22870800    3.31772400
 H                  2.12892700    3.84128800    3.61252100
 H                  2.99131800    5.36543100    1.83845800
 C                  1.17422900   -0.07833600    3.01340300
 C                  1.32710400   -0.57102000    1.68540800
 H                  1.36854600    1.61095200    4.33273600
 H                  0.75311200   -0.74142200    3.76995600
 C                  5.30541900   -3.07967000   -1.36457800
 C                  4.53037200   -2.64270500   -2.42666100
 C                  3.46437000   -1.71925700   -2.22486600
 C                  3.18562900   -1.24021200   -0.89170400
 C                  4.01645600   -1.69570600    0.17476700
 C                  5.04603400   -2.59500300   -0.05442000
 H                  2.89490900   -1.60762000   -4.31869300
 H                  6.11743600   -3.79024400   -1.53153800
 H                  4.72421000   -2.99925900   -3.44139000
 C                  2.67127800   -1.24887500   -3.31124400
 C                  2.10204500   -0.31781000   -0.68901200
 H                  3.83416400   -1.32083200    1.18110700
 H                  5.66509000   -2.93213000    0.77972200
 C                  1.33481300    0.08704400   -1.78537400
 C                  1.63064600   -0.36615800   -3.10333300
 H                  1.02402700   -0.00270400   -3.92988900
 N                  0.79824000   -1.82868100    1.31352600
 H                 -0.43077200    0.50881000   -0.76946400
 H                  0.02696500   -1.70563900    0.63019000
 O                  0.13522500   -3.98092200    1.61324600
 N                 -2.16809500    2.29842000   -0.57764700
 H                 -3.39461700   -2.32362000    2.84169600
 C                  1.95418700   -3.22116400    3.01409100
 H                  1.47328700   -3.28472600    4.00352100
 H                  2.46387700   -4.17783600    2.83255000
 H                  2.68936600   -2.40495500    3.02877200
 C                  0.87977300   -3.05030600    1.93862800

 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 78 1.5
 4 15 1.0 16 1.0
 5 10 1.0 24 1.0 38 1.0 79 1.0
 6 7 1.0 22 1.0 23 1.0 78 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 78 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
 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 1.5 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 84 1.5
 75
 76
 77 84 2.0
 78
 79
 80 81 1.0 82 1.0 83 1.0 84 1.0
 81
 82
 83
 84

