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Text File  |  1996-09-01  |  2.8 KB  |  150 lines
  1. "7  5    30.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
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  6. 1                    
  7. 25                    
  8. 6.981    0    1.054    0.608    -0.056    -0.032
  9. 6.788    0    1.118    0.645    -0.059    -0.034
  10. 6.595    0    1.129    0.652    -0.06    -0.035
  11. 6.402    0    1.087    0.628    -0.058    -0.033
  12. 6.209    0    0.992    0.573    -0.053    -0.03
  13. 6.017    0    0.842    0.486    -0.045    -0.026
  14. 5.824    0    0.662    0.382    -0.035    -0.02
  15. 5.631    0    0.572    0.33    -0.03    -0.018
  16. 5.438    0    0.68    0.393    -0.036    -0.021
  17. 5.245    0    0.86    0.496    -0.046    -0.026
  18. 5.052    0    1.004    0.58    -0.053    -0.031
  19. 4.86    0    1.094    0.632    -0.058    -0.034
  20. 4.667    0    1.13    0.652    -0.06    -0.035
  21. 4.474    0    1.113    0.643    -0.059    -0.034
  22. 4.282    0    1.044    0.603    -0.055    -0.032
  23. 4.089    0    0.919    0.531    -0.049    -0.028
  24. 3.897    0    0.746    0.431    -0.04    -0.023
  25. 3.704    0    0.591    0.342    -0.031    -0.018
  26. 3.512    0    0.608    0.353    -0.032    -0.019
  27. 3.32    0    0.775    0.45    -0.041    -0.024
  28. 3.129    -0.001    0.941    0.548    -0.05    -0.029
  29. 2.938    -0.001    1.056    0.616    -0.056    -0.033
  30. 2.748    -0.001    1.116    0.652    -0.059    -0.035
  31. 2.557    -0.002    1.127    0.659    -0.06    -0.035
  32. 2.366    0    1.093    0.636    -0.058    -0.034
  33. 2.173    0.004    1.016    0.584    -0.054    -0.031
  34. 1.981    0.009    0.896    0.504    -0.048    -0.027
  35. 1.799    0.013    0.738    0.405    -0.039    -0.022
  36. 1.639    0.013    0.601    0.329    -0.032    -0.017
  37. 1.514    0.006    0.617    0.353    -0.033    -0.019
  38. 1.442    -0.015    0.751    0.472    -0.04    -0.025
  39. 1.429    -0.053    0.88    0.619    -0.047    -0.033
  40. 1.457    -0.094    0.992    0.757    -0.053    -0.04
  41. 1.501    -0.11    1.11    0.865    -0.059    -0.046
  42. 1.546    -0.087    1.246    0.94    -0.066    -0.05
  43. 1.586    -0.021    1.4    0.979    -0.074    -0.052
  44. 1.619    0.089    1.566    0.983    -0.083    -0.052
  45. 1.653    0.231    1.739    0.96    -0.092    -0.051
  46. 1.685    0.368    1.916    0.944    -0.102    -0.05
  47. 1.697    0.456    2.114    0.973    -0.112    -0.052
  48. 1.691    0.516    2.329    1.027    -0.124    -0.054
  49. 1.699    0.587    2.532    1.072    -0.134    -0.057
  50. 1.742    0.677    2.705    1.099    -0.143    -0.058
  51. 1.824    0.785    2.84    1.11    -0.151    -0.059
  52. 1.95    0.907    2.937    1.109    -0.156    -0.059
  53. 2.118    1.038    2.995    1.1    -0.159    -0.058
  54. 2.316    1.171    3.025    1.088    -0.16    -0.058
  55. 2.503    1.308    3.068    1.073    -0.163    -0.057
  56. 2.635    1.468    3.158    1.037    -0.168    -0.055
  57. 2.745    1.644    3.269    0.988    -0.173    -0.052
  58. 2.869    1.801    3.368    0.955    -0.179    -0.051
  59. 3.014    1.921    3.447    0.955    -0.183    -0.051
  60. 3.178    2    3.509    0.993    -0.186    -0.053
  61. 3.356    2.035    3.559    1.07    -0.189    -0.057
  62. 3.543    2.028    3.6    1.185    -0.191    -0.063
  63. 3.733    1.998    3.64    1.322    -0.193    -0.07
  64. 3.929    1.992    3.674    1.436    -0.195    -0.076
  65. 4.148    2.039    3.686    1.503    -0.196    -0.08
  66. 4.376    2.099    3.691    1.557    -0.196    -0.083
  67. 4.58    2.142    3.717    1.628    -0.197    -0.086
  68. 4.746    2.162    3.777    1.719    -0.2    -0.091
  69. 4.871    2.163    3.875    1.827    -0.206    -0.097
  70. 4.952    2.149    4.012    1.948    -0.213    -0.103
  71. 4.994    2.127    4.185    2.077    -0.222    -0.11
  72. 5.019    2.103    4.373    2.209    -0.232    -0.117
  73. 5.081    2.069    4.528    2.348    -0.24    -0.125
  74. 5.192    2.013    4.638    2.507    -0.246    -0.133
  75. 5.306    1.957    4.745    2.668    -0.252    -0.142
  76. 5.4    1.927    4.871    2.803    -0.258    -0.149
  77. 5.47    1.936    5.018    2.904    -0.266    -0.154
  78. 5.521    1.987    5.183    2.968    -0.275    -0.157
  79. 5.558    2.08    5.361    2.992    -0.284    -0.159
  80. 5.586    2.21    5.546    2.984    -0.294    -0.158
  81. 5.612    2.347    5.733    2.969    -0.304    -0.157
  82. 5.627    2.439    5.93    2.995    -0.315    -0.159
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