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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "10  5    45.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
  2.  
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  6. 2                    
  7. 25                    
  8. 6.981    0    0.86    0.86    -0.046    -0.046
  9. 6.788    0    0.913    0.913    -0.048    -0.048
  10. 6.595    0    0.922    0.922    -0.049    -0.049
  11. 6.402    0    0.888    0.888    -0.047    -0.047
  12. 6.209    0    0.81    0.81    -0.043    -0.043
  13. 6.017    0    0.687    0.687    -0.036    -0.036
  14. 5.824    0    0.541    0.541    -0.029    -0.029
  15. 5.631    0    0.467    0.467    -0.025    -0.025
  16. 5.438    0    0.555    0.555    -0.029    -0.029
  17. 5.245    0    0.702    0.702    -0.037    -0.037
  18. 5.052    0    0.82    0.82    -0.044    -0.044
  19. 4.86    0    0.893    0.893    -0.047    -0.047
  20. 4.667    0    0.922    0.923    -0.049    -0.049
  21. 4.474    0    0.909    0.909    -0.048    -0.048
  22. 4.281    0    0.852    0.853    -0.045    -0.045
  23. 4.089    0    0.75    0.751    -0.04    -0.04
  24. 3.896    0    0.609    0.61    -0.032    -0.032
  25. 3.704    0    0.483    0.484    -0.026    -0.026
  26. 3.511    0    0.496    0.498    -0.026    -0.026
  27. 3.319    0    0.632    0.635    -0.034    -0.034
  28. 3.127    -0.001    0.767    0.772    -0.041    -0.041
  29. 2.936    -0.001    0.861    0.867    -0.046    -0.046
  30. 2.745    -0.001    0.91    0.918    -0.048    -0.049
  31. 2.555    -0.002    0.915    0.926    -0.049    -0.049
  32. 2.367    -0.003    0.879    0.892    -0.047    -0.047
  33. 2.18    -0.004    0.8    0.814    -0.042    -0.043
  34. 1.998    -0.006    0.676    0.694    -0.036    -0.037
  35. 1.823    -0.01    0.527    0.552    -0.028    -0.029
  36. 1.661    -0.017    0.442    0.491    -0.023    -0.026
  37. 1.52    -0.029    0.501    0.604    -0.027    -0.032
  38. 1.408    -0.052    0.601    0.79    -0.032    -0.042
  39. 1.33    -0.091    0.664    0.958    -0.035    -0.051
  40. 1.268    -0.154    0.681    1.104    -0.036    -0.059
  41. 1.175    -0.239    0.672    1.252    -0.036    -0.066
  42. 1.025    -0.328    0.655    1.41    -0.035    -0.075
  43. 0.824    -0.411    0.635    1.575    -0.034    -0.084
  44. 0.629    -0.502    0.615    1.745    -0.033    -0.093
  45. 0.535    -0.66    0.601    1.913    -0.032    -0.101
  46. 0.515    -0.887    0.59    2.08    -0.031    -0.11
  47. 0.492    -1.105    0.579    2.248    -0.031    -0.119
  48. 0.442    -1.271    0.568    2.418    -0.03    -0.128
  49. 0.365    -1.375    0.554    2.592    -0.029    -0.137
  50. 0.268    -1.415    0.54    2.769    -0.029    -0.147
  51. 0.156    -1.39    0.525    2.949    -0.028    -0.156
  52. 0.034    -1.298    0.51    3.132    -0.027    -0.166
  53. -0.091    -1.144    0.495    3.318    -0.026    -0.176
  54. -0.217    -0.971    0.479    3.505    -0.025    -0.186
  55. -0.369    -0.885    0.463    3.688    -0.025    -0.196
  56. -0.575    -0.913    0.443    3.866    -0.024    -0.205
  57. -0.791    -0.959    0.423    4.043    -0.022    -0.214
  58. -0.97    -0.97    0.405    4.221    -0.022    -0.224
  59. -1.096    -0.94    0.39    4.402    -0.021    -0.233
  60. -1.166    -0.872    0.377    4.584    -0.02    -0.243
  61. -1.177    -0.773    0.367    4.767    -0.019    -0.253
  62. -1.127    -0.646    0.36    4.953    -0.019    -0.263
  63. -1.016    -0.497    0.356    5.139    -0.019    -0.273
  64. -0.867    -0.339    0.354    5.325    -0.019    -0.282
  65. -0.772    -0.181    0.349    5.512    -0.019    -0.292
  66. -0.812    -0.003    0.338    5.699    -0.018    -0.302
  67. -0.905    0.191    0.324    5.887    -0.017    -0.312
  68. -0.965    0.365    0.311    6.075    -0.017    -0.322
  69. -0.973    0.501    0.302    6.26    -0.016    -0.332
  70. -0.929    0.593    0.294    6.444    -0.016    -0.342
  71. -0.839    0.637    0.289    6.625    -0.015    -0.351
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