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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "9  6    40.00   66.18300   33.81700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 2                    
  7. 26                    
  8. 6.983    0    0.97    0.814    -0.051    -0.043
  9. 6.811    0    1.03    0.864    -0.055    -0.046
  10. 6.639    0    1.046    0.878    -0.055    -0.047
  11. 6.468    0    1.019    0.855    -0.054    -0.045
  12. 6.296    0    0.947    0.794    -0.05    -0.042
  13. 6.124    0    0.826    0.693    -0.044    -0.037
  14. 5.952    0    0.662    0.556    -0.035    -0.029
  15. 5.781    0    0.515    0.432    -0.027    -0.023
  16. 5.609    0    0.534    0.448    -0.028    -0.024
  17. 5.437    0    0.694    0.583    -0.037    -0.031
  18. 5.266    0    0.852    0.715    -0.045    -0.038
  19. 5.094    0    0.963    0.808    -0.051    -0.043
  20. 4.922    0    1.027    0.862    -0.054    -0.046
  21. 4.75    0    1.046    0.878    -0.055    -0.047
  22. 4.579    0    1.022    0.858    -0.054    -0.046
  23. 4.407    0    0.954    0.801    -0.051    -0.042
  24. 4.236    0    0.837    0.703    -0.044    -0.037
  25. 4.064    0    0.675    0.567    -0.036    -0.03
  26. 3.893    0    0.522    0.439    -0.028    -0.023
  27. 3.722    0    0.524    0.442    -0.028    -0.023
  28. 3.55    0    0.68    0.573    -0.036    -0.03
  29. 3.379    -0.001    0.839    0.708    -0.045    -0.038
  30. 3.209    -0.001    0.954    0.806    -0.051    -0.043
  31. 3.039    -0.001    1.02    0.863    -0.054    -0.046
  32. 2.869    -0.002    1.042    0.883    -0.055    -0.047
  33. 2.7    -0.002    1.021    0.867    -0.054    -0.046
  34. 2.531    -0.002    0.958    0.814    -0.051    -0.043
  35. 2.364    -0.003    0.848    0.722    -0.045    -0.038
  36. 2.199    -0.004    0.692    0.592    -0.037    -0.031
  37. 2.039    -0.006    0.529    0.46    -0.028    -0.024
  38. 1.887    -0.01    0.497    0.448    -0.026    -0.024
  39. 1.746    -0.016    0.625    0.586    -0.033    -0.031
  40. 1.622    -0.027    0.766    0.748    -0.041    -0.04
  41. 1.52    -0.042    0.869    0.88    -0.046    -0.047
  42. 1.44    -0.046    0.95    0.974    -0.05    -0.052
  43. 1.366    -0.016    1.044    1.033    -0.055    -0.055
  44. 1.274    0.051    1.165    1.075    -0.062    -0.057
  45. 1.157    0.143    1.302    1.106    -0.069    -0.059
  46. 1.013    0.243    1.448    1.135    -0.077    -0.06
  47. 0.834    0.337    1.6    1.167    -0.085    -0.062
  48. 0.63    0.417    1.759    1.207    -0.093    -0.064
  49. 0.45    0.517    1.927    1.252    -0.102    -0.066
  50. 0.328    0.679    2.101    1.302    -0.111    -0.069
  51. 0.225    0.87    2.278    1.354    -0.121    -0.072
  52. 0.11    1.027    2.455    1.406    -0.13    -0.075
  53. -0.019    1.124    2.633    1.454    -0.14    -0.077
  54. -0.155    1.153    2.811    1.5    -0.149    -0.08
  55. -0.29    1.114    2.988    1.542    -0.159    -0.082
  56. -0.419    1.008    3.167    1.581    -0.168    -0.084
  57. -0.534    0.842    3.346    1.617    -0.177    -0.086
  58. -0.638    0.647    3.525    1.651    -0.187    -0.088
  59. -0.766    0.483    3.703    1.687    -0.196    -0.09
  60. -0.953    0.378    3.879    1.726    -0.206    -0.092
  61. -1.159    0.289    4.054    1.766    -0.215    -0.094
  62. -1.327    0.186    4.23    1.805    -0.224    -0.096
  63. -1.435    0.067    4.41    1.843    -0.234    -0.098
  64. -1.475    -0.061    4.592    1.881    -0.244    -0.1
  65. -1.448    -0.19    4.778    1.919    -0.253    -0.102
  66. -1.353    -0.315    4.967    1.957    -0.263    -0.104
  67. -1.199    -0.429    5.159    1.996    -0.274    -0.106
  68. -1.02    -0.536    5.352    2.035    -0.284    -0.108
  69. -0.88    -0.668    5.543    2.072    -0.294    -0.11
  70. -0.8    -0.856    5.732    2.107    -0.304    -0.112
  71. -0.731    -1.057    5.92    2.142    -0.314    -0.114
  72. -0.646    -1.217    6.108    2.178    -0.324    -0.116
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