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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "  4  1    15.00   17.12700   82.87300  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 23                    
  8. 6.973    0    0.979    0.262    -0.052    -0.014
  9. 6.704    0    1.017    0.273    -0.054    -0.014
  10. 6.435    0    1    0.268    -0.053    -0.014
  11. 6.167    0    0.929    0.249    -0.049    -0.013
  12. 5.898    0    0.822    0.22    -0.044    -0.012
  13. 5.629    0    0.731    0.196    -0.039    -0.01
  14. 5.36    0    0.733    0.196    -0.039    -0.01
  15. 5.091    0    0.825    0.221    -0.044    -0.012
  16. 4.822    0    0.931    0.249    -0.049    -0.013
  17. 4.554    0    1.001    0.268    -0.053    -0.014
  18. 4.285    0    1.017    0.273    -0.054    -0.014
  19. 4.016    0    0.977    0.262    -0.052    -0.014
  20. 3.748    0    0.888    0.238    -0.047    -0.013
  21. 3.48    0    0.778    0.209    -0.041    -0.011
  22. 3.212    0    0.718    0.193    -0.038    -0.01
  23. 2.944    0    0.762    0.205    -0.04    -0.011
  24. 2.678    0    0.869    0.235    -0.046    -0.012
  25. 2.414    -0.001    0.963    0.262    -0.051    -0.014
  26. 2.154    -0.002    1.013    0.277    -0.054    -0.015
  27. 1.899    -0.003    1.019    0.281    -0.054    -0.015
  28. 1.66    -0.005    0.996    0.279    -0.053    -0.015
  29. 1.476    -0.023    0.94    0.291    -0.05    -0.015
  30. 1.391    -0.082    0.84    0.345    -0.045    -0.018
  31. 1.396    -0.182    0.716    0.441    -0.038    -0.023
  32. 1.46    -0.309    0.592    0.576    -0.031    -0.031
  33. 1.551    -0.453    0.477    0.741    -0.025    -0.039
  34. 1.653    -0.603    0.356    0.906    -0.019    -0.048
  35. 1.759    -0.757    0.218    1.035    -0.012    -0.055
  36. 1.867    -0.912    0.068    1.109    -0.004    -0.059
  37. 1.974    -1.067    -0.086    1.121    0.005    -0.059
  38. 2.082    -1.223    -0.235    1.069    0.012    -0.057
  39. 2.191    -1.379    -0.371    0.957    0.02    -0.051
  40. 2.299    -1.534    -0.489    0.795    0.026    -0.042
  41. 2.408    -1.691    -0.592    0.608    0.031    -0.032
  42. 2.516    -1.847    -0.705    0.429    0.037    -0.023
  43. 2.625    -2.003    -0.841    0.265    0.045    -0.014
  44. 2.734    -2.159    -0.971    0.1    0.052    -0.005
  45. 2.843    -2.315    -1.059    -0.068    0.056    0.004
  46. 2.952    -2.471    -1.088    -0.232    0.058    0.012
  47. 3.06    -2.628    -1.055    -0.384    0.056    0.02
  48. 3.169    -2.784    -0.962    -0.513    0.051    0.027
  49. 3.278    -2.94    -0.815    -0.613    0.043    0.033
  50. 3.387    -3.097    -0.626    -0.682    0.033    0.036
  51. 3.496    -3.253    -0.418    -0.733    0.022    0.039
  52. 3.605    -3.409    -0.217    -0.798    0.012    0.042
  53. 3.714    -3.565    -0.023    -0.888    0.001    0.047
  54. 3.823    -3.722    0.169    -0.968    -0.009    0.051
  55. 3.932    -3.878    0.353    -1.006    -0.019    0.053
  56. 4.041    -4.034    0.518    -0.987    -0.027    0.052
  57. 4.15    -4.191    0.653    -0.912    -0.035    0.048
  58. 4.259    -4.347    0.751    -0.785    -0.04    0.042
  59. 4.368    -4.503    0.806    -0.614    -0.043    0.033
  60. 4.477    -4.66    0.821    -0.412    -0.044    0.022
  61. 4.586    -4.816    0.816    -0.198    -0.043    0.011
  62. 4.695    -4.972    0.829    0.013    -0.044    -0.001
  63. 4.804    -5.128    0.866    0.223    -0.046    -0.012
  64. 4.913    -5.285    0.892    0.429    -0.047    -0.023
  65. 5.022    -5.441    0.877    0.615    -0.047    -0.033
  66. 5.131    -5.597    0.813    0.766    -0.043    -0.041
  67. 5.24    -5.754    0.702    0.873    -0.037    -0.046
  68. 5.348    -5.91    0.551    0.931    -0.029    -0.049
  69. 5.457    -6.066    0.37    0.936    -0.02    -0.05
  70. 5.566    -6.223    0.17    0.896    -0.009    -0.048
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