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Text File  |  1996-09-01  |  2.7 KB  |  150 lines
  1. "9  5    40.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
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  6. 2                    
  7. 25                    
  8. 6.981    0    0.932    0.782    -0.049    -0.041
  9. 6.788    0    0.989    0.83    -0.052    -0.044
  10. 6.595    0    0.998    0.838    -0.053    -0.044
  11. 6.402    0    0.962    0.807    -0.051    -0.043
  12. 6.209    0    0.877    0.736    -0.047    -0.039
  13. 6.017    0    0.744    0.625    -0.039    -0.033
  14. 5.824    0    0.586    0.492    -0.031    -0.026
  15. 5.631    0    0.506    0.425    -0.027    -0.023
  16. 5.438    0    0.602    0.505    -0.032    -0.027
  17. 5.245    0    0.76    0.638    -0.04    -0.034
  18. 5.052    0    0.888    0.746    -0.047    -0.04
  19. 4.86    0    0.968    0.812    -0.051    -0.043
  20. 4.667    0    0.999    0.839    -0.053    -0.044
  21. 4.474    0    0.985    0.827    -0.052    -0.044
  22. 4.281    0    0.923    0.775    -0.049    -0.041
  23. 4.089    0    0.813    0.682    -0.043    -0.036
  24. 3.896    0    0.66    0.554    -0.035    -0.029
  25. 3.704    0    0.523    0.44    -0.028    -0.023
  26. 3.511    0    0.538    0.453    -0.029    -0.024
  27. 3.319    0    0.685    0.578    -0.036    -0.031
  28. 3.128    -0.001    0.832    0.702    -0.044    -0.037
  29. 2.936    -0.001    0.933    0.789    -0.049    -0.042
  30. 2.746    -0.001    0.986    0.836    -0.052    -0.044
  31. 2.556    -0.002    0.993    0.843    -0.053    -0.045
  32. 2.367    -0.002    0.955    0.813    -0.051    -0.043
  33. 2.18    -0.003    0.873    0.743    -0.046    -0.039
  34. 1.997    -0.003    0.744    0.635    -0.039    -0.034
  35. 1.823    -0.006    0.585    0.507    -0.031    -0.027
  36. 1.663    -0.012    0.489    0.444    -0.026    -0.024
  37. 1.526    -0.024    0.551    0.542    -0.029    -0.029
  38. 1.424    -0.047    0.667    0.715    -0.035    -0.038
  39. 1.362    -0.086    0.747    0.878    -0.04    -0.047
  40. 1.334    -0.144    0.779    1.012    -0.041    -0.054
  41. 1.301    -0.23    0.769    1.137    -0.041    -0.06
  42. 1.227    -0.33    0.74    1.268    -0.039    -0.067
  43. 1.096    -0.428    0.702    1.405    -0.037    -0.075
  44. 0.906    -0.513    0.66    1.547    -0.035    -0.082
  45. 0.678    -0.584    0.617    1.694    -0.033    -0.09
  46. 0.48    -0.683    0.575    1.841    -0.03    -0.098
  47. 0.359    -0.87    0.537    1.986    -0.028    -0.105
  48. 0.262    -1.097    0.5    2.13    -0.027    -0.113
  49. 0.155    -1.285    0.463    2.276    -0.025    -0.121
  50. 0.038    -1.409    0.425    2.425    -0.023    -0.129
  51. -0.083    -1.466    0.387    2.578    -0.021    -0.137
  52. -0.2    -1.457    0.35    2.734    -0.019    -0.145
  53. -0.308    -1.383    0.313    2.893    -0.017    -0.153
  54. -0.401    -1.244    0.276    3.055    -0.015    -0.162
  55. -0.472    -1.045    0.241    3.22    -0.013    -0.171
  56. -0.533    -0.822    0.206    3.386    -0.011    -0.18
  57. -0.641    -0.65    0.169    3.55    -0.009    -0.188
  58. -0.837    -0.545    0.128    3.711    -0.007    -0.197
  59. -1.047    -0.45    0.086    3.871    -0.005    -0.205
  60. -1.208    -0.343    0.046    4.032    -0.002    -0.214
  61. -1.301    -0.23    0.01    4.193    -0.001    -0.222
  62. -1.328    -0.116    -0.024    4.354    0.001    -0.231
  63. -1.29    -0.008    -0.054    4.515    0.003    -0.24
  64. -1.186    0.089    -0.081    4.676    0.004    -0.248
  65. -1.018    0.167    -0.104    4.835    0.006    -0.256
  66. -0.796    0.223    -0.126    4.994    0.007    -0.265
  67. -0.568    0.279    -0.147    5.152    0.008    -0.273
  68. -0.407    0.404    -0.171    5.314    0.009    -0.282
  69. -0.297    0.606    -0.197    5.479    0.01    -0.291
  70. -0.186    0.798    -0.224    5.644    0.012    -0.299
  71. -0.065    0.932    -0.25    5.807    0.013    -0.308
  72. 0.06    0.998    -0.276    5.966    0.015    -0.316
  73. 0.183    0.999    -0.302    6.121    0.016    -0.325
  74. 0.298    0.934    -0.328    6.274    0.017    -0.333
  75. 0.398    0.804    -0.356    6.424    0.019    -0.341
  76. 0.477    0.611    -0.384    6.57    0.02    -0.349
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