 ACETONE-1-13C  GROUND STATE - LB
-1  -1   1  1   0   1  0. 2.93 0. 300
3           59.925867764E-03   1        29.367100801E+00   1          0.000000000E+00   0
3           61.394309547E-03   1        21.145097395E+00   1          0.000000000E+00   0
1   0     00000.   1102000.   1.0E-03

  10.083034622E+03
   8.277507383E+03
   4.811469122E+03
   4.585138221E+00
  -2.739032821E+00
   9.430438724E+00
   1.915380308E+00
-346.592233862E-03
   5.127337906E-03
 -27.322605030E-03
  31.521605457E-03
  32.389620544E-03
   2.596105249E-03
  35.414039223E-03
 -75.036078926E-03

  1 1 1  1 1 1 1 1  1 1 1 1 1 1 1

  0  1  1  0  0  0  -763.229887652E+00   1  1.0000E+02
  0  2  1  0  0  0   772.095799867E-03   1  1.0000E-01
  1 -1  1  0  0  0    94.411874129E-03   1  1.0000E-02
  1  0  1  0  0  0  -758.019461092E+00   1  1.0000E+02
  1  1  1  0  0  0     1.030575184E+00   1  1.0000E+00
  2  0  1  0  0  0   762.716372511E-03   1  1.0000E-01
  0  1 -1  0  0  1   861.173763942E-03   1  1.0000E-01
  0  1 -1  0  0  3  -723.113997139E-06   1  1.0000E-04
  0  1 -1  0  2  1   739.711575461E-06   1  1.0000E-04
  0  1 -1  1  0  0  -314.034753042E-03   1  1.0000E-01
  0  1 -1  2  0  1   -68.276742183E-06   1  1.0000E-05
  0  1  1  0  0  2    37.108243577E-03   1  1.0000E-02
  0  1  1  0  0  4    13.486100095E-06   1  1.0000E-05
  0  1  1  0  2  0    -3.677377917E-03   1  1.0000E-03
  0  1  1  0  2  2   -15.837987056E-06   1  1.0000E-05
  0  1  1  0  4  0     2.240282441E-06   1  1.0000E-06
  0  1  1  2  0  0     5.116406741E-03   1  1.0000E-03
  0  1  1  2  0  2   -11.763244837E-06   1  1.0000E-05
  0  1  1  2  2  0     1.271691577E-06   1  1.0000E-06
  1  0 -1  0  0  1  -640.990196993E-03   1  1.0000E-01
  1  0 -1  0  0  3   308.039775248E-06   1  1.0000E-04
  1  0 -1  0  2  1  -548.708714521E-06   1  1.0000E-04
  1  0 -1  1  0  0  -329.773540117E-03   1  1.0000E-01
  1  0 -1  2  0  1   178.385507290E-06   1  1.0000E-04
  1  0  1  0  0  2    31.971678463E-03   1  1.0000E-02
  1  0  1  0  0  4    24.313584036E-06   1  1.0000E-05
  1  0  1  0  2  0     3.373391451E-03   1  1.0000E-03
  1  0  1  0  2  2   -25.763943299E-06   1  1.0000E-05
  1  0  1  0  4  0     1.661837753E-06   1  1.0000E-06
  1  0  1  2  0  0     9.014862783E-03   1  1.0000E-03
  1  0  1  2  0  2   -18.197137939E-06   1  1.0000E-05
  1  0  1  2  2  0   781.633110042E-09   1  1.0000E-07

  0  0  0  0  0  0   0.   0    0.
  
  0 0    8  8
  0 1    8  8
  1 0    8  8
  1 1    4  4
  1 2    4  4
 -1 0    0  0

  1  1    3  5    3  3        10547.722000    0.0    0.002000
  1  2    3  5    3  3        10566.912000    0.0    0.004000
  0  1    3  5    3  3        10568.517000    0.0    0.002000
  1  0    3  5    3  3        10569.391000    0.0    0.004000
  0  0    3  5    3  3        10580.566000    0.0    0.004000
  1  1    2  3    2  1        10929.990000    0.0    0.004000
  1  2    2  3    2  1        10941.532000    0.0    0.004000
  1  0    2  3    2  1        10947.299000    0.0    0.004000
  0  1    2  3    2  1        10950.743000    0.0    0.004000
  0  0    2  3    2  1        10962.347000    0.0    0.004000
  1  1    3  7    3  5        11791.291000    0.0    0.002000
  0  0    3  7    3  5        11916.235000    0.0    0.004000
  0  1    3  7    3  5        11989.607000    0.0    0.002000
  1  0    3  7    3  5        11989.913000    0.0    0.002000
  1  2    3  7    3  5        12218.598000    0.0    0.002000
  1  2    1  2    0  1        14857.719000    0.0    0.002000
  1  1    1  2    0  1        14884.214000    0.0    0.002000
  0  1    1  2    0  1        14890.834000    0.0    0.002000
  1  0    1  2    0  1        14895.092000    0.0    0.002000
  0  0    1  2    0  1        14914.887000    0.0    0.002000
  1  2    2  4    2  2        15658.123000    0.0    0.002000
  1  1    2  4    2  2        15786.136000    0.0    0.002000
  0  1    2  4    2  2        15789.908000    0.0    0.002000
  1  0    2  4    2  2        15805.368000    0.0    0.002000
  0  0    2  4    2  2        15875.777000    0.0    0.002000
  1  1    4  5    4  3        17867.847000    0.0    0.002000
  1  0    4  5    4  3        17883.988000    0.0    0.004000
  1  2    4  5    4  3        17886.737000    0.0    0.002000
  0  1    4  5    4  3        17895.725000    0.0    0.002000
  0  0    4  5    4  3        17902.639000    0.0    0.004000
  1  2    3  6    3  4        18346.549000    0.0    0.002000
  0  1    3  6    3  4        18688.012000    0.0    0.002000
  1  0    3  6    3  4        18729.158000    0.0    0.004000
  1  1    3  6    3  4        18780.194000    0.0    0.002000
  0  0    3  6    3  4        18911.388000    0.0    0.004000
  1  1    3  3    3  1        19775.333000    0.0    0.002000
  1  2    3  3    3  1        19787.358000    0.0    0.004000
  1  0    3  3    3  1        19803.903000    0.0    0.004000
  0  1    3  3    3  1        19811.438000    0.0    0.002000
  0  0    3  3    3  1        19834.081000    0.0    0.004000
  1  2    3  4    3  2        22088.548000    0.0    0.002000
  1  1    3  4    3  2        22112.168000    0.0    0.004000
  0  1    3  4    3  2        22152.842000    0.0    0.004000
  1  0    3  4    3  2        22158.259000    0.0    0.004000
  0  0    2  1    1  2        22165.540000    0.0    0.002000
  1  1    2  1    1  2        22167.671000    0.0    0.002000
  1  0    2  1    1  2        22170.152000    0.0    0.002000
  0  1    2  1    1  2        22176.423000    0.0    0.002000
  1  2    2  1    1  2        22194.548000    0.0    0.002000
  0  0    3  4    3  2        22210.622000    0.0    0.004000
  1  2    2  2    1  1        24498.438000    0.0    0.002000
  1  1    2  2    1  1        24509.900000    0.0    0.002000
  0  1    2  2    1  1        24519.057000    0.0    0.002000
  1  0    2  2    1  1        24522.815000    0.0    0.002000
  0  0    2  2    1  1        24537.601000    0.0    0.002000
  1  0   10 16   10 15        36382.643500    0.0    0.070000
  0  0   15 19   15 17        36685.766500    0.0    0.050000
  1  0   15 19   15 17        36698.798800    0.0    0.050000
  0  1   15 19   15 17        36743.608600    0.0    0.050000
  1  1   15 19   15 17        36750.213600    0.0    0.050000
  1  2   15 19   15 17        36765.908800    0.0    0.050000
  0  0    3  3    2  4        36793.162700    0.0    0.070000
  1  0    3  3    2  4        36828.861800    0.0    0.070000
  0  1    3  3    2  4        36853.979100    0.0    0.070000
  1  2    8 14    8 12        36975.201600    0.0    0.070000
  1  1   17 23   17 21        37049.033200    0.0    0.050000
  1  0   11 13   11 11        37109.152600    0.0    0.050000
  0  0   11 13   11 11        37110.105300    0.0    0.050000
  1  2   17 23   17 21        37128.642200    0.0    0.050000
  0  1   17 23   17 21        37145.903000    0.0    0.050000
  1  1   11 13   11 11        37149.010200    0.0    0.050000
  0  1   11 13   11 11        37163.545100    0.0    0.050000
  1  2   11 13   11 11        37177.896600    0.0    0.050000
  1  0   17 23   17 21        37217.915900    0.0    0.050000
  1  1    6  5    6  3        37219.408500    0.0    0.070000
  1  2    6  5    6  3        37224.429900    0.0    0.070000
  0  0   17 23   17 21        37274.139200    0.0    0.050000
  1  0    6  5    6  3        37274.816500    0.0    0.070000
  0  1    6  5    6  3        37283.044100    0.0    0.050000
  0  1   12 18   12 17        37334.328200    0.0    0.070000
  0  0    6  5    6  3        37335.891600    0.0    0.070000
  0  1   14 20   14 19        37369.243800    0.0    0.070000
  1  1   10 17   10 15        37463.295800    0.0    0.050000
  1  2    9 14    9 12        37547.517900    0.0    0.070000
  1  0   12 18   12 17        37568.670300    0.0    0.070000
  0  1    8 14    8 12        37613.423000    0.0    0.050000
  1  0    8 14    8 12        37724.627400    0.0    0.050000
  1  2    7  8    7  6        37729.535900    0.0    0.050000
  1  1    7  8    7  6        37744.565700    0.0    0.070000
  0  1    7  8    7  6        37809.039400    0.0    0.050000
  1  0    7  8    7  6        37810.891300    0.0    0.050000
  0  0    7  8    7  6        37882.806900    0.0    0.070000
  1  2    6  6    6  4        37892.108600    0.0    0.070000
  1  1    6  6    6  4        37896.772700    0.0    0.070000
  0  0   10 17   10 15        37911.563200    0.0    0.050000
  1  2    8 10    8  8        37938.084000    0.0    0.070000
  1  0    6  6    6  4        37964.406000    0.0    0.070000
  0  1    6  6    6  4        37965.154800    0.0    0.070000
  1  1    8 10    8  8        37979.955100    0.0    0.070000
  0  1    8 10    8  8        38040.182100    0.0    0.070000
  1  0    9 14    9 12        38316.967500    0.0    0.070000
  1  1    9 14    9 12        38425.228700    0.0    0.050000
  0  0    8 14    8 12        38463.236800    0.0    0.070000
  0  0    7 15    7 13        38665.455900    0.0    0.070000
  1  2   10 17   10 15        38665.675200    0.0    0.070000
  0  1    7 14    7 12        38673.599000    0.0    0.070000
  0  0    9 14    9 12        38716.230400    0.0    0.050000
  1  0    7 14    7 12        38738.463000    0.0    0.070000
  1  2    9 12    9 10        38804.791900    0.0    0.050000
  0  1    7 15    7 13        38866.099100    0.0    0.050000
  1  1    7 14    7 12        38878.667600    0.0    0.070000
  1  2    7 15    7 13        38903.088800    0.0    0.070000
  1  1    9 12    9 10        38913.097800    0.0    0.050000
  1  0    7 15    7 13        38917.564900    0.0    0.050000
  0  1    9 12    9 10        38963.965500    0.0    0.050000
  1  0    9 12    9 10        38987.929000    0.0    0.050000
  1  1    7 15    7 12        39038.269700    0.0    0.070000
  0  0    9 12    9 10        39093.557100    0.0    0.050000
  1  1   12 19   12 17        39206.127600    0.0    0.070000
  0  0    7 14    7 12        39292.291400    0.0    0.070000
  1  0    8 15    8 12        39425.139200    0.0    0.070000
  0  1    8 15    8 12        39483.942400    0.0    0.070000
  0  0   12 19   12 17        39703.859700    0.0    0.050000
  0  1   12 19   12 17        39812.764600    0.0    0.050000
  1  0   12 19   12 17        39861.140700    0.0    0.050000
  1  1   19 25   19 23        40164.221100    0.0    0.050000
  1  2   19 25   19 23        40188.243300    0.0    0.050000
  0  1   19 25   19 23        40205.994500    0.0    0.050000
  0  0   18 23   18 21        40230.028700    0.0    0.050000
  1  0   18 23   18 21        40237.612800    0.0    0.050000
  1  2   12 19   12 17        40237.973700    0.0    0.070000
  1  0   19 25   19 23        40252.741300    0.0    0.050000
  0  1   18 23   18 21        40263.806300    0.0    0.050000
  1  1   18 23   18 21        40269.988300    0.0    0.070000
  1  2   18 23   18 21        40275.371400    0.0    0.050000
  0  0   19 25   19 23        40282.630100    0.0    0.050000
  1  1   14 21   14 19        40425.192300    0.0    0.070000
  0  0   14 17   14 15        40463.178700    0.0    0.050000
  1  0   14 17   14 15        40480.324300    0.0    0.050000
  1  2   10 14   10 12        40536.041300    0.0    0.070000
  0  1   14 17   14 15        40551.450300    0.0    0.050000
  1  1   14 17   14 15        40557.218600    0.0    0.050000
  0  1    9 15    9 12        40575.461200    0.0    0.070000
  1  2   14 17   14 15        40582.743600    0.0    0.070000
  1  0    2  5    1  2        40787.027400    0.0    0.070000
  0  1    2  5    1  2        40791.634700    1.0    0.070000
  0  0    2  5    1  2        40791.634700   -1.0    0.070000
  1  1   10 14   10 12        40805.022300    0.0    0.070000
  0  1   10 14   10 12        40824.450700    0.0    0.050000
  0  1   14 21   14 19        40862.104100    0.0    0.050000
  1  0   10 14   10 12        40873.354600    0.0    0.050000
  1  0   10 11   10  9        40879.334700    0.0    0.050000
  1  1   10 11   10  9        40884.873300    0.0    0.050000
  0  0   10 11   10  9        40904.559900    0.0    0.050000
  1  2   10 11   10  9        40907.439400    0.0    0.070000
  0  1   10 11   10  9        40920.967100    0.0    0.050000
  0  0   14 21   14 19        40938.101100    0.0    0.050000
  1  0   14 21   14 19        40945.216700    0.0    0.050000
  0  0   10 14   10 12        41033.234700    0.0    0.050000
  1  2   14 21   14 19        41148.406600    0.0    0.050000
  1  0    9 16    9 15        41171.923300    0.0    0.070000
  1  2    9 15    9 12        41190.745000    0.0    0.070000
  1  1   16 23   16 21        41397.746600    0.0    0.050000
  0  1   16 23   16 21        41701.066000    0.0    0.070000
  1  2   10 16   10 14        41803.395000    0.0    0.070000
  1  0   16 23   16 21        41813.896800    0.0    0.050000
  1  2   16 23   16 21        41822.488600    0.0    0.050000
  0  0   16 23   16 21        41883.620200    0.0    0.050000
  1  1    9 16    9 15        42050.533000    0.0    0.070000
  1  1    9 17    9 15        42257.243400    0.0    0.070000
  1  1   18 25   18 23        42437.961900    0.0    0.050000
  1  2   11 18   11 17        42506.260600    0.0    0.070000
  0  1   10 16   10 14        42571.413800    0.0    0.070000
  0  0    9 17    9 15        42636.546100    0.0    0.050000
  0  1   18 25   18 23        42639.951200    0.0    0.050000
  1  2   18 25   18 23        42655.120500    0.0    0.050000
  1  0   10 16   10 14        42704.796100    0.0    0.070000
  1  1    4  1    3  2        42706.570300    0.0    0.050000
  1  2    4  1    3  2        42707.599200    0.0    0.070000
  1  0    4  1    3  2        42713.670000    0.0    0.070000
  0  1    4  1    3  2        42714.178900    0.0    0.070000
  0  0    4  1    3  2        42720.763000    0.0    0.050000
  1  0   18 25   18 23        42766.383600    0.0    0.050000
  1  2    4  2    3  1        42830.155400    0.0    0.070000
  1  1    4  2    3  1        42831.043100    0.0    0.070000
  1  2    9 16    9 14        42838.679000    0.0    0.070000
  0  1    4  2    3  1        42839.328500    0.0    0.070000
  1  0    4  2    3  1        42840.005200    0.0    0.070000
  0  0    4  2    3  1        42848.714700    0.0    0.050000
  0  0   18 25   18 23        42854.120900    0.0    0.030000
  0  1    9 17    9 15        42994.799300    0.0    0.070000
  1  1   10 16   10 14        43002.614000    0.0    0.070000
  1  0    9 17    9 15        43043.484900    0.0    0.070000
  1  2    9 17    9 15        43123.332900    0.0    0.070000
  1  2   11 16   11 14        43187.177500    0.0    0.070000
  0  1    9 16    9 14        43302.155100    0.0    0.050000
  0  0   10 16   10 14        43363.766100    0.0    0.070000
  0  0   17 21   17 19        43367.757400    0.0    0.050000
  1  0   17 21   17 19        43393.826100    0.0    0.050000
  1  0    9 16    9 14        43395.503600    0.0    0.070000
  0  1   17 21   17 19        43470.239900    0.0    0.030000
  1  1   17 21   17 19        43490.483500    0.0    0.050000
  1  2   17 21   17 19        43505.597000    0.0    0.050000
  1  1    9  9    9  7        43608.036100    0.0    0.050000
  1  2    9  9    9  7        43620.014400    0.0    0.070000
  1  0    9  9    9  7        43640.860100    0.0    0.050000
  0  1    9  9    9  7        43664.853400    0.0    0.050000
  0  0    9  9    9  7        43691.795100    0.0    0.050000
  1  1    9 16    9 14        43700.977300    0.0    0.070000
  0  1   11 16   11 14        43714.573200    0.0    0.050000
  1  1   11 16   11 14        43789.729300    0.0    0.050000
  1  0   11 16   11 14        43803.463200    0.0    0.030000
  1  1   20 27   20 25        43860.435000    0.0    0.050000
  1  1    9 17    9 14        43907.707800    0.0    0.070000
  1  2   20 27   20 25        43954.248900    0.0    0.050000
  0  1   20 27   20 25        43980.389400    0.0    0.050000
  0  0   11 16   11 14        44079.285800    0.0    0.050000
  1  0   20 27   20 25        44101.865300    0.0    0.030000
  0  1   11 18   11 17        44109.735400    0.0    0.070000
  0  0    9 16    9 14        44136.583300    0.0    0.050000
  0  0   20 27   20 25        44172.885700    0.0    0.050000
  1  2   21 27   21 25        44226.522700    0.0    0.050000
  0  1   21 27   21 25        44229.572300    1.0    0.050000
  1  1   21 27   21 25        44229.572300   -0.5    0.050000
  1  0   21 27   21 25        44239.274200    0.0    0.030000
  0  0   21 27   21 25        44241.433500    0.0    0.030000
  1  0   11 18   11 17        44359.335300    0.0    0.050000
  1  0   10 17   10 14        44569.970400    0.0    0.070000
  1  2    8 16    8 14        44573.645300    0.0    0.050000
  1  2    3  4    2  3        44615.819700    0.0    0.070000
  0  1   10 17   10 14        44624.545800    0.0    0.070000
  1  1    3  4    2  3        44655.210700    0.0    0.070000
  0  1    3  4    2  3        44684.188900    0.0    0.070000
  1  0    3  4    2  3        44695.246500    0.0    0.070000
  0  0    3  4    2  3        44743.631000    0.0    0.070000
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 -1 0  0  0  0  0      0    0   0