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Text File  |  1996-09-01  |  2.8 KB  |  150 lines
  1. "7  3    30.00   38.23300   61.76700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 24                    
  8. 6.977    0    0.969    0.56    -0.051    -0.03
  9. 6.745    0    1.022    0.59    -0.054    -0.031
  10. 6.513    0    1.018    0.588    -0.054    -0.031
  11. 6.28    0    0.958    0.553    -0.051    -0.029
  12. 6.048    0    0.844    0.488    -0.045    -0.026
  13. 5.816    0    0.698    0.403    -0.037    -0.021
  14. 5.584    0    0.601    0.347    -0.032    -0.018
  15. 5.352    0    0.656    0.379    -0.035    -0.02
  16. 5.12    0    0.8    0.462    -0.042    -0.025
  17. 4.888    0    0.928    0.536    -0.049    -0.028
  18. 4.656    0    1.005    0.58    -0.053    -0.031
  19. 4.424    0    1.026    0.593    -0.054    -0.031
  20. 4.192    0    0.991    0.573    -0.053    -0.03
  21. 3.96    0    0.9    0.52    -0.048    -0.028
  22. 3.728    0    0.763    0.441    -0.04    -0.023
  23. 3.497    0    0.629    0.364    -0.033    -0.019
  24. 3.266    0    0.612    0.355    -0.032    -0.019
  25. 3.035    -0.001    0.733    0.426    -0.039    -0.023
  26. 2.805    -0.001    0.875    0.51    -0.046    -0.027
  27. 2.576    -0.001    0.974    0.569    -0.052    -0.03
  28. 2.349    -0.002    1.02    0.598    -0.054    -0.032
  29. 2.123    -0.002    1.017    0.596    -0.054    -0.032
  30. 1.898    0.001    0.972    0.566    -0.052    -0.03
  31. 1.679    0.006    0.895    0.512    -0.047    -0.027
  32. 1.487    0.007    0.789    0.448    -0.042    -0.024
  33. 1.354    -0.01    0.665    0.405    -0.035    -0.021
  34. 1.307    -0.055    0.575    0.436    -0.031    -0.023
  35. 1.341    -0.131    0.559    0.578    -0.03    -0.031
  36. 1.425    -0.23    0.561    0.777    -0.03    -0.041
  37. 1.534    -0.344    0.535    0.96    -0.028    -0.051
  38. 1.651    -0.466    0.475    1.097    -0.025    -0.058
  39. 1.77    -0.591    0.387    1.181    -0.021    -0.063
  40. 1.89    -0.718    0.279    1.207    -0.015    -0.064
  41. 2.009    -0.846    0.156    1.172    -0.008    -0.062
  42. 2.129    -0.974    0.024    1.075    -0.001    -0.057
  43. 2.25    -1.102    -0.109    0.919    0.006    -0.049
  44. 2.371    -1.23    -0.242    0.742    0.013    -0.039
  45. 2.492    -1.359    -0.401    0.631    0.021    -0.033
  46. 2.613    -1.487    -0.611    0.607    0.032    -0.032
  47. 2.734    -1.616    -0.828    0.592    0.044    -0.031
  48. 2.855    -1.745    -1.004    0.55    0.053    -0.029
  49. 2.977    -1.873    -1.124    0.476    0.06    -0.025
  50. 3.098    -2.002    -1.186    0.378    0.063    -0.02
  51. 3.219    -2.131    -1.187    0.261    0.063    -0.014
  52. 3.341    -2.26    -1.125    0.13    0.06    -0.007
  53. 3.462    -2.388    -1.001    -0.009    0.053    0
  54. 3.584    -2.517    -0.831    -0.147    0.044    0.008
  55. 3.705    -2.646    -0.683    -0.294    0.036    0.016
  56. 3.826    -2.775    -0.63    -0.483    0.033    0.026
  57. 3.948    -2.904    -0.628    -0.705    0.033    0.037
  58. 4.069    -3.032    -0.608    -0.904    0.032    0.048
  59. 4.191    -3.161    -0.554    -1.054    0.029    0.056
  60. 4.312    -3.29    -0.47    -1.147    0.025    0.061
  61. 4.434    -3.419    -0.363    -1.181    0.019    0.063
  62. 4.555    -3.548    -0.236    -1.155    0.013    0.061
  63. 4.677    -3.676    -0.097    -1.065    0.005    0.057
  64. 4.798    -3.805    0.048    -0.918    -0.003    0.049
  65. 4.919    -3.934    0.193    -0.752    -0.01    0.04
  66. 5.041    -4.063    0.361    -0.657    -0.019    0.035
  67. 5.162    -4.192    0.574    -0.65    -0.03    0.034
  68. 5.284    -4.32    0.79    -0.651    -0.042    0.035
  69. 5.405    -4.449    0.967    -0.62    -0.051    0.033
  70. 5.527    -4.578    1.09    -0.554    -0.058    0.029
  71. 5.648    -4.707    1.156    -0.46    -0.061    0.024
  72. 5.77    -4.836    1.164    -0.342    -0.062    0.018
  73. 5.891    -4.964    1.109    -0.206    -0.059    0.011
  74. 6.013    -5.093    0.993    -0.058    -0.053    0.003
  75. 6.134    -5.222    0.833    0.092    -0.044    -0.005
  76. 6.255    -5.351    0.699    0.25    -0.037    -0.013
  77. 6.377    -5.48    0.664    0.444    -0.035    -0.024
  78. 6.498    -5.608    0.678    0.665    -0.036    -0.035
  79. 6.62    -5.737    0.671    0.865    -0.036    -0.046
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