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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "5  5    20.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 25                    
  8. 6.981    0    1.144    0.416    -0.061    -0.022
  9. 6.788    0    1.213    0.441    -0.064    -0.023
  10. 6.595    0    1.225    0.446    -0.065    -0.024
  11. 6.402    0    1.18    0.429    -0.063    -0.023
  12. 6.209    0    1.076    0.392    -0.057    -0.021
  13. 6.017    0    0.913    0.332    -0.048    -0.018
  14. 5.824    0    0.719    0.262    -0.038    -0.014
  15. 5.631    0    0.621    0.226    -0.033    -0.012
  16. 5.438    0    0.738    0.269    -0.039    -0.014
  17. 5.245    0    0.933    0.34    -0.049    -0.018
  18. 5.052    0    1.09    0.397    -0.058    -0.021
  19. 4.86    0    1.187    0.432    -0.063    -0.023
  20. 4.667    0    1.226    0.446    -0.065    -0.024
  21. 4.474    0    1.208    0.44    -0.064    -0.023
  22. 4.282    0    1.132    0.412    -0.06    -0.022
  23. 4.089    0    0.997    0.363    -0.053    -0.019
  24. 3.897    0    0.809    0.295    -0.043    -0.016
  25. 3.705    0    0.641    0.234    -0.034    -0.012
  26. 3.513    0    0.66    0.242    -0.035    -0.013
  27. 3.321    0    0.842    0.309    -0.045    -0.016
  28. 3.13    -0.001    1.022    0.375    -0.054    -0.02
  29. 2.939    -0.001    1.147    0.422    -0.061    -0.022
  30. 2.749    -0.001    1.214    0.447    -0.064    -0.024
  31. 2.557    0    1.231    0.453    -0.065    -0.024
  32. 2.358    0.003    1.211    0.438    -0.064    -0.023
  33. 2.148    0.013    1.167    0.405    -0.062    -0.021
  34. 1.927    0.029    1.108    0.356    -0.059    -0.019
  35. 1.711    0.048    1.036    0.298    -0.055    -0.016
  36. 1.543    0.056    0.934    0.25    -0.05    -0.013
  37. 1.472    0.043    0.787    0.227    -0.042    -0.012
  38. 1.5    0.012    0.653    0.243    -0.035    -0.013
  39. 1.597    -0.03    0.65    0.336    -0.034    -0.018
  40. 1.736    -0.083    0.747    0.497    -0.04    -0.026
  41. 1.897    -0.143    0.835    0.663    -0.044    -0.035
  42. 2.069    -0.205    0.878    0.798    -0.047    -0.042
  43. 2.245    -0.269    0.875    0.893    -0.046    -0.047
  44. 2.424    -0.333    0.827    0.943    -0.044    -0.05
  45. 2.605    -0.398    0.737    0.947    -0.039    -0.05
  46. 2.786    -0.464    0.608    0.901    -0.032    -0.048
  47. 2.968    -0.53    0.445    0.805    -0.024    -0.043
  48. 3.151    -0.596    0.273    0.697    -0.014    -0.037
  49. 3.333    -0.662    0.137    0.692    -0.007    -0.037
  50. 3.516    -0.728    0.034    0.842    -0.002    -0.045
  51. 3.698    -0.794    -0.065    1.02    0.003    -0.054
  52. 3.881    -0.86    -0.16    1.149    0.008    -0.061
  53. 4.064    -0.926    -0.247    1.214    0.013    -0.064
  54. 4.246    -0.992    -0.321    1.218    0.017    -0.065
  55. 4.429    -1.058    -0.379    1.161    0.02    -0.062
  56. 4.612    -1.124    -0.417    1.043    0.022    -0.055
  57. 4.794    -1.19    -0.432    0.867    0.023    -0.046
  58. 4.977    -1.256    -0.432    0.659    0.023    -0.035
  59. 5.16    -1.322    -0.475    0.51    0.025    -0.027
  60. 5.343    -1.388    -0.632    0.483    0.034    -0.026
  61. 5.525    -1.454    -0.839    0.499    0.045    -0.026
  62. 5.708    -1.52    -1.013    0.497    0.054    -0.026
  63. 5.891    -1.586    -1.131    0.467    0.06    -0.025
  64. 6.073    -1.652    -1.19    0.412    0.063    -0.022
  65. 6.256    -1.719    -1.19    0.337    0.063    -0.018
  66. 6.439    -1.785    -1.129    0.245    0.06    -0.013
  67. 6.621    -1.851    -1.005    0.139    0.053    -0.007
  68. 6.804    -1.917    -0.834    0.027    0.044    -0.001
  69. 6.987    -1.983    -0.698    -0.088    0.037    0.005
  70. 7.17    -2.049    -0.72    -0.225    0.038    0.012
  71. 7.352    -2.115    -0.843    -0.389    0.045    0.021
  72. 7.535    -2.181    -0.949    -0.543    0.05    0.029
  73. 7.718    -2.247    -1.002    -0.668    0.053    0.035
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