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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "5  3    20.00   38.23300   61.76700  [itraj,v,angle,Evib,Etrans]"                    
  2.  
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  6. 0                    
  7. 24                    
  8. 6.977    0    1.052    0.383    -0.056    -0.02
  9. 6.745    0    1.108    0.403    -0.059    -0.021
  10. 6.513    0    1.104    0.402    -0.059    -0.021
  11. 6.28    0    1.039    0.378    -0.055    -0.02
  12. 6.048    0    0.916    0.333    -0.049    -0.018
  13. 5.816    0    0.757    0.276    -0.04    -0.015
  14. 5.584    0    0.652    0.237    -0.035    -0.013
  15. 5.352    0    0.712    0.259    -0.038    -0.014
  16. 5.12    0    0.868    0.316    -0.046    -0.017
  17. 4.888    0    1.007    0.367    -0.053    -0.019
  18. 4.656    0    1.091    0.397    -0.058    -0.021
  19. 4.424    0    1.114    0.405    -0.059    -0.022
  20. 4.192    0    1.075    0.392    -0.057    -0.021
  21. 3.96    0    0.977    0.356    -0.052    -0.019
  22. 3.729    0    0.828    0.302    -0.044    -0.016
  23. 3.497    0    0.682    0.249    -0.036    -0.013
  24. 3.266    0    0.665    0.243    -0.035    -0.013
  25. 3.035    0    0.796    0.292    -0.042    -0.015
  26. 2.806    -0.001    0.95    0.349    -0.05    -0.019
  27. 2.577    -0.001    1.059    0.391    -0.056    -0.021
  28. 2.35    -0.001    1.111    0.411    -0.059    -0.022
  29. 2.121    0    1.119    0.411    -0.059    -0.022
  30. 1.886    0.007    1.103    0.394    -0.059    -0.021
  31. 1.658    0.015    1.074    0.369    -0.057    -0.02
  32. 1.481    0.002    1.015    0.365    -0.054    -0.019
  33. 1.4    -0.064    0.91    0.413    -0.048    -0.022
  34. 1.397    -0.169    0.776    0.498    -0.041    -0.026
  35. 1.447    -0.299    0.618    0.597    -0.033    -0.032
  36. 1.526    -0.446    0.454    0.715    -0.024    -0.038
  37. 1.617    -0.601    0.291    0.848    -0.015    -0.045
  38. 1.712    -0.758    0.123    0.971    -0.007    -0.051
  39. 1.809    -0.918    -0.05    1.052    0.003    -0.056
  40. 1.907    -1.077    -0.221    1.076    0.012    -0.057
  41. 2.005    -1.237    -0.379    1.04    0.02    -0.055
  42. 2.103    -1.397    -0.517    0.945    0.027    -0.05
  43. 2.202    -1.558    -0.625    0.796    0.033    -0.042
  44. 2.3    -1.718    -0.702    0.607    0.037    -0.032
  45. 2.399    -1.879    -0.759    0.4    0.04    -0.021
  46. 2.498    -2.039    -0.822    0.195    0.044    -0.01
  47. 2.596    -2.2    -0.898    -0.007    0.048    0
  48. 2.695    -2.36    -0.96    -0.207    0.051    0.011
  49. 2.794    -2.521    -0.978    -0.398    0.052    0.021
  50. 2.893    -2.682    -0.943    -0.566    0.05    0.03
  51. 2.992    -2.842    -0.854    -0.702    0.045    0.037
  52. 3.091    -3.003    -0.716    -0.798    0.038    0.042
  53. 3.19    -3.164    -0.538    -0.85    0.029    0.045
  54. 3.289    -3.324    -0.333    -0.859    0.018    0.046
  55. 3.388    -3.485    -0.119    -0.846    0.006    0.045
  56. 3.487    -3.646    0.096    -0.841    -0.005    0.045
  57. 3.585    -3.807    0.312    -0.848    -0.017    0.045
  58. 3.684    -3.967    0.52    -0.84    -0.028    0.045
  59. 3.783    -4.128    0.704    -0.793    -0.037    0.042
  60. 3.882    -4.289    0.848    -0.703    -0.045    0.037
  61. 3.981    -4.449    0.945    -0.572    -0.05    0.03
  62. 4.08    -4.61    0.987    -0.408    -0.052    0.022
  63. 4.179    -4.771    0.974    -0.222    -0.052    0.012
  64. 4.278    -4.932    0.915    -0.024    -0.049    0.001
  65. 4.377    -5.092    0.833    0.175    -0.044    -0.009
  66. 4.476    -5.253    0.761    0.377    -0.04    -0.02
  67. 4.575    -5.414    0.699    0.583    -0.037    -0.031
  68. 4.674    -5.575    0.622    0.776    -0.033    -0.041
  69. 4.773    -5.735    0.516    0.932    -0.027    -0.049
  70. 4.872    -5.896    0.382    1.035    -0.02    -0.055
  71. 4.971    -6.057    0.226    1.079    -0.012    -0.057
  72. 5.07    -6.218    0.057    1.062    -0.003    -0.056
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