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Text File  |  1996-09-01  |  2.4 KB  |  150 lines
  1. "  5  1    20.00   17.12700   82.87300  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 24                    
  8. 6.973    0    0.952    0.347    -0.051    -0.018
  9. 6.704    0    0.99    0.36    -0.052    -0.019
  10. 6.435    0    0.972    0.354    -0.052    -0.019
  11. 6.167    0    0.903    0.329    -0.048    -0.017
  12. 5.898    0    0.799    0.291    -0.042    -0.015
  13. 5.629    0    0.712    0.259    -0.038    -0.014
  14. 5.36    0    0.713    0.259    -0.038    -0.014
  15. 5.091    0    0.802    0.292    -0.043    -0.015
  16. 4.822    0    0.906    0.33    -0.048    -0.017
  17. 4.554    0    0.974    0.354    -0.052    -0.019
  18. 4.285    0    0.989    0.36    -0.052    -0.019
  19. 4.016    0    0.95    0.346    -0.05    -0.018
  20. 3.748    0    0.863    0.315    -0.046    -0.017
  21. 3.479    0    0.757    0.276    -0.04    -0.015
  22. 3.212    0    0.698    0.255    -0.037    -0.014
  23. 2.944    0    0.741    0.271    -0.039    -0.014
  24. 2.678    -0.001    0.845    0.31    -0.045    -0.016
  25. 2.413    -0.001    0.936    0.345    -0.05    -0.018
  26. 2.153    -0.002    0.984    0.366    -0.052    -0.019
  27. 1.898    -0.003    0.986    0.369    -0.052    -0.02
  28. 1.656    -0.006    0.956    0.363    -0.051    -0.019
  29. 1.455    -0.019    0.9    0.362    -0.048    -0.019
  30. 1.336    -0.065    0.812    0.397    -0.043    -0.021
  31. 1.311    -0.155    0.704    0.477    -0.037    -0.025
  32. 1.357    -0.28    0.587    0.599    -0.031    -0.032
  33. 1.44    -0.427    0.469    0.752    -0.025    -0.04
  34. 1.537    -0.585    0.342    0.904    -0.018    -0.048
  35. 1.639    -0.747    0.2    1.023    -0.011    -0.054
  36. 1.743    -0.91    0.046    1.09    -0.002    -0.058
  37. 1.847    -1.075    -0.111    1.096    0.006    -0.058
  38. 1.951    -1.239    -0.262    1.04    0.014    -0.055
  39. 2.056    -1.404    -0.399    0.926    0.021    -0.049
  40. 2.161    -1.569    -0.516    0.766    0.027    -0.041
  41. 2.266    -1.734    -0.62    0.585    0.033    -0.031
  42. 2.371    -1.899    -0.732    0.409    0.039    -0.022
  43. 2.476    -2.064    -0.859    0.243    0.046    -0.013
  44. 2.581    -2.229    -0.975    0.075    0.052    -0.004
  45. 2.687    -2.394    -1.048    -0.096    0.056    0.005
  46. 2.792    -2.56    -1.063    -0.262    0.056    0.014
  47. 2.897    -2.725    -1.018    -0.412    0.054    0.022
  48. 3.003    -2.89    -0.915    -0.539    0.049    0.029
  49. 3.108    -3.055    -0.761    -0.636    0.04    0.034
  50. 3.213    -3.221    -0.571    -0.704    0.03    0.037
  51. 3.319    -3.386    -0.368    -0.758    0.02    0.04
  52. 3.424    -3.551    -0.172    -0.827    0.009    0.044
  53. 3.529    -3.717    0.021    -0.909    -0.001    0.048
  54. 3.635    -3.882    0.212    -0.972    -0.011    0.052
  55. 3.74    -4.047    0.392    -0.989    -0.021    0.052
  56. 3.846    -4.213    0.551    -0.951    -0.029    0.05
  57. 3.951    -4.378    0.678    -0.858    -0.036    0.046
  58. 4.056    -4.543    0.767    -0.717    -0.041    0.038
  59. 4.162    -4.709    0.813    -0.536    -0.043    0.028
  60. 4.267    -4.874    0.825    -0.332    -0.044    0.018
  61. 4.373    -5.039    0.828    -0.123    -0.044    0.007
  62. 4.478    -5.205    0.85    0.084    -0.045    -0.004
  63. 4.584    -5.37    0.88    0.291    -0.047    -0.015
  64. 4.689    -5.535    0.886    0.489    -0.047    -0.026
  65. 4.794    -5.701    0.847    0.661    -0.045    -0.035
  66. 4.9    -5.866    0.76    0.796    -0.04    -0.042
  67. 5.005    -6.032    0.63    0.886    -0.033    -0.047
  68. 5.111    -6.197    0.465    0.926    -0.025    -0.049
  69. 5.216    -6.362    0.274    0.916    -0.015    -0.049
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