$coord
   -2.85613645385003     -1.59175262232176     -0.38719875641469      c
   -0.38435689936358     -2.77666048640272     -1.26438396011836      c
    1.78079770736142     -1.69627566214855      0.25727606751335      c
   -0.62838934324882     -5.43326105571557     -0.74446253666298      o
   -0.07073478921058     -2.41006369197865     -3.24829963775660      h
    1.52758800412688     -2.19960288597271      2.22072899101800      h
    4.04415956948238     -2.81480767713080     -0.73881221258500      o
   -4.40912236357628     -2.10627407794265     -1.59900281587281      h
   -3.28839117661719     -2.33532007213752      2.15201323125573      o
    1.81684650021738      1.15031630561323      0.04528732241399      c
    3.92613628427328      1.97142080656757      1.56378400458123      o
    2.03911080698180      1.72237744703555     -1.90044738967100      h
   -0.67091688933635      2.18745097608415      1.04324116888860      c
   -0.92667040418522      1.68595867676959      3.00027134450336      h
   -0.93711580001635      5.00619793913480      0.62067124457326      c
   -2.65053330825059      1.07749716648048     -0.50417034417884      o
   -2.77112484759700      5.61821838627565      1.28714707555600      h
    0.51306559157609      6.01798079367211      1.63596463246120      h
   -0.60140672731035      5.56107203487187     -2.01988520437228      o
   -1.86096612886643      4.61136386914645     -2.94675055501799      h
    0.99960226888163     -6.23802661632036     -0.96608775173043      h
    5.48567679714845     -2.03222685892578      0.07033790474087      h
    4.52846971520328      3.60746531763924      1.02559763850984      h
   -2.87248294752493     -4.11388635112584      2.29569158101282      h
$redundant
     number_of_atoms            24
     degrees_of_freedom         66
     internal_coordinates       66
     frozen_coordinates          0
# definitions of redundant internals
   1 k  1.0000000000000 stre    2    5           val=   2.22799
   2 k -0.8164965777309 bend    4    5    2      val=   0.00000
        0.4082480727742 bend    1    5    2
        0.4082485145470 bend    3    5    2
   3 k -0.0000002495206 bend    4    5    2      val=   0.00000
        0.7071069142523 bend    1    5    2
       -0.7071066481207 bend    3    5    2
   4 k  1.0000000000000 stre    3    6           val=   2.22799
   5 k -0.8164965777309 bend    7    6    3      val=   0.00000
        0.4082480727743 bend    2    6    3
        0.4082485145470 bend   10    6    3
   6 k -0.0000002495206 bend    7    6    3      val=   0.00000
        0.7071069142523 bend    2    6    3
       -0.7071066481207 bend   10    6    3
   7 k  1.0000000000000 stre    1    8           val=   2.22799
   8 k  0.5606316441701 bend    9    8    1      val=  -3.30609
       -0.7849282102828 bend    2    8    1
        0.2637799542374 bend   16    8    1
   9 k  0.6088321392064 bend    9    8    1      val=   4.65126
        0.1748163396241 bend    2    8    1
       -0.7737975663375 bend   16    8    1
  10 k  1.0000000000000 stre   10   12           val=   2.22799
  11 k -0.8164965777309 bend   11   12   10      val=   0.00000
        0.4082480727743 bend    3   12   10
        0.4082485145470 bend   13   12   10
  12 k -0.0000002495206 bend   11   12   10      val=   0.00000
        0.7071069142523 bend    3   12   10
       -0.7071066481207 bend   13   12   10
  13 k  1.0000000000000 stre   13   14           val=   2.22799
  14 k -0.7581743686897 bend   15   14   13      val=   0.00000
        0.1166396529201 bend   10   14   13
        0.6415347364162 bend   16   14   13
  15 k -0.3030483038433 bend   15   14   13      val=   0.00000
        0.8081224425296 bend   10   14   13
       -0.5050740969578 bend   16   14   13
  16 k  1.0000000000000 stre   15   17           val=   2.22799
  17 k  1.0000000000000 stre   15   18           val=   2.22799
  18 k  0.0236017132238 bend   18   17   15      val=   0.00000
       -0.5057263066086 bend   19   17   15
       -0.5057263273698 bend   19   18   15
        0.4939254743612 bend   13   17   15
        0.4939254695994 bend   13   18   15
  19 k  0.0000000081674 bend   18   17   15      val=   0.00000
        0.5263585797788 bend   19   17   15
       -0.5263585647505 bend   19   18   15
        0.4721722650567 bend   13   17   15
       -0.4721722767362 bend   13   18   15
  20 k -0.8941157393617 bend   18   17   15      val=   0.00000
        0.2103351877468 bend   19   17   15
        0.2103351751070 bend   19   18   15
        0.2367226940832 bend   13   17   15
        0.2367226935465 bend   13   18   15
  21 k -0.0000000040022 bend   18   17   15      val=   0.00000
       -0.4721722724814 bend   19   17   15
        0.4721722693115 bend   19   18   15
        0.5263585781237 bend   13   17   15
       -0.5263585664057 bend   13   18   15
  22 k  1.0000000000000 tors   20   19   15   13 val=  60.00000
  23 k  1.0000000000000 stre   19   20           val=   2.04090
  24 k  1.0000000000000 bend   15   20   19      val= 109.47122
  25 k  1.0000000000000 tors   21    4    2    1 val=  60.00000
        1.0000000000000 tors   21    4    2    3
  26 k  1.0000000000000 stre    4   21           val=   2.04090
  27 k  1.0000000000000 bend    2   21    4      val= 109.47122
  28 k  1.0000000000000 tors   22    7    3    2 val=  30.00000
        1.0000000000000 tors   22    7    3   10
  29 k  1.0000000000000 stre    7   22           val=   2.04090
  30 k  1.0000000000000 bend    3   22    7      val= 109.47122
  31 k  1.0000000000000 tors   23   11   10    3 val= 120.00000
        1.0000000000000 tors   23   11   10   13
  32 k  1.0000000000000 stre   11   23           val=   2.04090
  33 k  1.0000000000000 bend   10   23   11      val= 109.47122
  34 k  1.0000000000000 tors   24    9    1    2 val= 121.50842
        1.0000000000000 tors   24    9    1   16
  35 k  1.0000000000000 stre    9   24           val=   2.04090
  36 k  1.0000000000000 bend    1   24    9      val= 109.47122
  37 k  1.0000000000000 stre    2    4           val=   2.70420
  38 k -0.7071067695585 bend    1    4    2      val=   0.00000
        0.7071067928145 bend    3    4    2
  39 k  0.7071067928145 bend    1    4    2      val= 109.47122
        0.7071067695585 bend    3    4    2
  40 k  1.0000000000000 stre    3    7           val=   2.70420
  41 k -0.7071067695585 bend    2    7    3      val=   0.00000
        0.7071067928145 bend   10    7    3
  42 k  0.7071067928145 bend    2    7    3      val= 109.47122
        0.7071067695585 bend   10    7    3
  43 k  1.0000000000000 stre    1    9           val=   2.70420
  44 k -0.6264331046666 bend    2    9    1      val=  14.31609
        0.7794751858641 bend   16    9    1
  45 k  0.7794751858641 bend    2    9    1      val= 106.51825
        0.6264331046666 bend   16    9    1
  46 k  1.0000000000000 stre   10   11           val=   2.70420
  47 k -0.7071067695585 bend    3   11   10      val=   0.00000
        0.7071067928145 bend   13   11   10
  48 k  0.7071067928145 bend    3   11   10      val= 109.47122
        0.7071067695585 bend   13   11   10
  49 k  1.0000000000000 tors   19   15   13   10 val=  60.00000
        1.0000000000000 tors   19   15   13   16
  50 k  1.0000000000000 stre   15   19           val=   2.70420
  51 k  1.0000000000000 bend   13   19   15      val= 109.47122
  52 k  1.0000000000000 stre   13   15           val=   2.89128
  53 k -0.7071067547256 bend   10   15   13      val=   0.00001
        0.7071068076475 bend   16   15   13
  54 k  0.7071068076475 bend   10   15   13      val= 109.47122
        0.7071067547256 bend   16   15   13
  55 k  1.0000000000000 stre    1    2           val=   2.89128
  56 k  1.0000000000000 stre    2    3           val=   2.89128
  57 k  1.0000000000000 stre    3   10           val=   2.89128
  58 k  1.0000000000000 stre   10   13           val=   2.89128
  59 k  1.0000000000000 stre   13   16           val=   2.89128
  60 k  1.0000000000000 stre   16    1           val=   2.89128
  61 k -0.5000000000000 bend    1    3    2      val=   0.00000
       -0.5000000000000 bend    2   10    3
        1.0000000000000 bend    3   13   10
       -0.5000000000000 bend   10   16   13
       -0.5000000000000 bend   13    1   16
        1.0000000000000 bend   16    2    1
  62 k  0.8660254037844 bend    1    3    2      val=   0.00000
       -0.8660254037844 bend    2   10    3
        0.8660254037844 bend   10   16   13
       -0.8660254037844 bend   13    1   16
  63 k -1.0000000000000 bend    1    3    2      val=   0.00000
        1.0000000000000 bend    2   10    3
       -1.0000000000000 bend    3   13   10
        1.0000000000000 bend   10   16   13
       -1.0000000000000 bend   13    1   16
        1.0000000000000 bend   16    2    1
  64 k -0.5000000000000 tors    2    3   10   13 val=   0.00000
       -0.5000000000000 tors    3   10   13   16
        1.0000000000000 tors   10   13   16    1
       -0.5000000000000 tors   13   16    1    2
       -0.5000000000000 tors   16    1    2    3
        1.0000000000000 tors    1    2    3   10
  65 k  0.8660254037844 tors    2    3   10   13 val=   0.00000
       -0.8660254037844 tors    3   10   13   16
        0.8660254037844 tors   13   16    1    2
       -0.8660254037844 tors   16    1    2    3
  66 k -1.0000000000000 tors    2    3   10   13 val= -60.00000
        1.0000000000000 tors    3   10   13   16
       -1.0000000000000 tors   10   13   16    1
        1.0000000000000 tors   13   16    1    2
       -1.0000000000000 tors   16    1    2    3
        1.0000000000000 tors    1    2    3   10
        66 non zero eigenvalues  of BmBt
           1           5.138982441    1    0
         1
           2           4.913598075    2    0
         2
           3           4.333904235    3    0
         3
           4           4.260087735    4    0
         4
           5           3.968328331    5    0
         5
           6           3.756471156    6    0
         6
           7           3.541603975    7    0
         7
           8           3.295808227    8    0
         8
           9           3.135878878    9    0
         9
          10           3.070287566   10    0
        10
          11           2.942953461   11    0
        11
          12           2.831360972   12    0
        12
          13           2.658663954   13    0
        13
          14           2.473527211   14    0
        14
          15           2.375656946   15    0
        15
          16           2.293396123   16    0
        16
          17           2.171905959   17    0
        17
          18           2.144831767   18    0
        18
          19           2.046292290   19    0
        19
          20           2.003403458   20    0
        20
          21           1.792382371   21    0
        21
          22           1.724953678   22    0
        22
          23           1.462373251   23    0
        23
          24           1.400420024   24    0
        24
          25           1.354669039   25    0
        25
          26           1.314285192   26    0
        26
          27           1.310288368   27    0
        27
          28           1.170631610   28    0
        28
          29           1.043659553   29    0
        29
          30           1.013756030   30    0
        30
          31           0.906099347   31    0
        31
          32           0.852659666   32    0
        32
          33           0.829245829   33    0
        33
          34           0.741212404   34    0
        34
          35           0.721832469   35    0
        35
          36           0.661541672   36    0
        36
          37           0.606763940   37    0
        37
          38           0.521094875   38    0
        38
          39           0.461068365   39    0
        39
          40           0.436347650   40    0
        40
          41           0.397975548   41    0
        41
          42           0.349584763   42    0
        42
          43           0.295686376   43    0
        43
          44           0.287759708   44    0
        44
          45           0.282923555   45    0
        45
          46           0.258634547   46    0
        46
          47           0.258050206   47    0
        47
          48           0.247045562   48    0
        48
          49           0.224460691   49    0
        49
          50           0.213708816   50    0
        50
          51           0.205819020   51    0
        51
          52           0.196562594   52    0
        52
          53           0.172120349   53    0
        53
          54           0.145658510   54    0
        54
          55           0.125127211   55    0
        55
          56           0.097773545   56    0
        56
          57           0.068917218   57    0
        57
          58           0.060107274   58    0
        58
          59           0.059324510   59    0
        59
          60           0.054386265   60    0
        60
          61           0.035114827   61    0
        61
          62           0.028738107   62    0
        62
          63           0.021630220   63    0
        63
          64           0.018136987   64    0
        64
          65           0.015966849   65    0
        65
          66           0.010276356   66    0
        66
$user-defined bonds
$end
