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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "  3  1    10.00   17.12700   82.87300  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 23                    
  8. 6.973    0    0.998    0.176    -0.053    -0.009
  9. 6.704    0    1.037    0.183    -0.055    -0.01
  10. 6.435    0    1.019    0.18    -0.054    -0.01
  11. 6.167    0    0.947    0.167    -0.05    -0.009
  12. 5.898    0    0.838    0.148    -0.044    -0.008
  13. 5.629    0    0.746    0.131    -0.04    -0.007
  14. 5.36    0    0.747    0.132    -0.04    -0.007
  15. 5.091    0    0.841    0.148    -0.045    -0.008
  16. 4.822    0    0.949    0.167    -0.05    -0.009
  17. 4.554    0    1.02    0.18    -0.054    -0.01
  18. 4.285    0    1.037    0.183    -0.055    -0.01
  19. 4.016    0    0.996    0.176    -0.053    -0.009
  20. 3.748    0    0.905    0.16    -0.048    -0.008
  21. 3.48    0    0.794    0.14    -0.042    -0.007
  22. 3.212    0    0.732    0.129    -0.039    -0.007
  23. 2.944    0    0.777    0.138    -0.041    -0.007
  24. 2.678    0    0.886    0.158    -0.047    -0.008
  25. 2.414    -0.001    0.982    0.176    -0.052    -0.009
  26. 2.155    -0.001    1.034    0.186    -0.055    -0.01
  27. 1.9    -0.002    1.043    0.189    -0.055    -0.01
  28. 1.665    -0.004    1.025    0.19    -0.054    -0.01
  29. 1.503    -0.025    0.961    0.208    -0.051    -0.011
  30. 1.459    -0.084    0.837    0.265    -0.044    -0.014
  31. 1.505    -0.176    0.696    0.361    -0.037    -0.019
  32. 1.599    -0.287    0.595    0.508    -0.032    -0.027
  33. 1.714    -0.409    0.535    0.705    -0.028    -0.037
  34. 1.839    -0.536    0.471    0.9    -0.025    -0.048
  35. 1.967    -0.666    0.382    1.053    -0.02    -0.056
  36. 2.096    -0.796    0.271    1.147    -0.014    -0.061
  37. 2.226    -0.927    0.145    1.178    -0.008    -0.062
  38. 2.356    -1.059    0.01    1.146    -0.001    -0.061
  39. 2.487    -1.19    -0.125    1.049    0.007    -0.056
  40. 2.618    -1.322    -0.253    0.896    0.013    -0.048
  41. 2.748    -1.453    -0.376    0.718    0.02    -0.038
  42. 2.879    -1.585    -0.521    0.576    0.028    -0.031
  43. 3.01    -1.717    -0.712    0.486    0.038    -0.026
  44. 3.141    -1.848    -0.908    0.403    0.048    -0.021
  45. 3.272    -1.98    -1.062    0.302    0.056    -0.016
  46. 3.403    -2.112    -1.157    0.184    0.061    -0.01
  47. 3.534    -2.243    -1.187    0.056    0.063    -0.003
  48. 3.665    -2.375    -1.153    -0.075    0.061    0.004
  49. 3.796    -2.507    -1.055    -0.202    0.056    0.011
  50. 3.927    -2.639    -0.898    -0.318    0.048    0.017
  51. 4.058    -2.77    -0.71    -0.424    0.038    0.022
  52. 4.189    -2.902    -0.546    -0.548    0.029    0.029
  53. 4.32    -3.034    -0.433    -0.722    0.023    0.038
  54. 4.451    -3.166    -0.333    -0.913    0.018    0.048
  55. 4.582    -3.297    -0.221    -1.066    0.012    0.057
  56. 4.714    -3.429    -0.096    -1.16    0.005    0.062
  57. 4.845    -3.561    0.034    -1.189    -0.002    0.063
  58. 4.976    -3.693    0.162    -1.153    -0.009    0.061
  59. 5.107    -3.824    0.282    -1.054    -0.015    0.056
  60. 5.238    -3.956    0.385    -0.895    -0.02    0.047
  61. 5.369    -4.088    0.474    -0.7    -0.025    0.037
  62. 5.5    -4.22    0.575    -0.518    -0.031    0.027
  63. 5.631    -4.351    0.73    -0.383    -0.039    0.02
  64. 5.762    -4.483    0.912    -0.266    -0.048    0.014
  65. 5.893    -4.615    1.063    -0.142    -0.056    0.008
  66. 6.024    -4.747    1.154    -0.009    -0.061    0
  67. 6.155    -4.878    1.182    0.124    -0.063    -0.007
  68. 6.286    -5.01    1.145    0.25    -0.061    -0.013
  69. 6.417    -5.142    1.045    0.362    -0.055    -0.019
  70. 6.548    -5.273    0.886    0.454    -0.047    -0.024
  71. 6.679    -5.405    0.686    0.526    -0.036    -0.028
  72. 6.81    -5.537    0.49    0.604    -0.026    -0.032
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