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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "  2  1     5.00   17.12700   82.87300  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 23                    
  8. 6.973    0    1.009    0.088    -0.054    -0.005
  9. 6.704    0    1.049    0.092    -0.056    -0.005
  10. 6.435    0    1.031    0.09    -0.055    -0.005
  11. 6.167    0    0.958    0.084    -0.051    -0.004
  12. 5.898    0    0.847    0.074    -0.045    -0.004
  13. 5.629    0    0.754    0.066    -0.04    -0.004
  14. 5.36    0    0.756    0.066    -0.04    -0.004
  15. 5.091    0    0.85    0.074    -0.045    -0.004
  16. 4.822    0    0.96    0.084    -0.051    -0.004
  17. 4.554    0    1.032    0.09    -0.055    -0.005
  18. 4.285    0    1.049    0.092    -0.056    -0.005
  19. 4.016    0    1.007    0.088    -0.053    -0.005
  20. 3.748    0    0.915    0.08    -0.049    -0.004
  21. 3.48    0    0.803    0.07    -0.043    -0.004
  22. 3.212    0    0.74    0.065    -0.039    -0.003
  23. 2.945    0    0.786    0.069    -0.042    -0.004
  24. 2.678    0    0.896    0.079    -0.048    -0.004
  25. 2.415    0    0.994    0.088    -0.053    -0.005
  26. 2.155    -0.001    1.046    0.094    -0.056    -0.005
  27. 1.901    -0.001    1.059    0.095    -0.056    -0.005
  28. 1.67    -0.003    1.042    0.097    -0.055    -0.005
  29. 1.528    -0.017    0.967    0.11    -0.051    -0.006
  30. 1.52    -0.055    0.821    0.148    -0.044    -0.008
  31. 1.603    -0.112    0.681    0.214    -0.036    -0.011
  32. 1.733    -0.181    0.661    0.34    -0.035    -0.018
  33. 1.886    -0.257    0.734    0.521    -0.039    -0.028
  34. 2.05    -0.337    0.798    0.701    -0.042    -0.037
  35. 2.219    -0.42    0.818    0.846    -0.043    -0.045
  36. 2.391    -0.505    0.793    0.945    -0.042    -0.05
  37. 2.564    -0.59    0.726    0.997    -0.039    -0.053
  38. 2.738    -0.675    0.622    0.997    -0.033    -0.053
  39. 2.912    -0.761    0.483    0.943    -0.026    -0.05
  40. 3.086    -0.847    0.318    0.839    -0.017    -0.045
  41. 3.261    -0.933    0.149    0.73    -0.008    -0.039
  42. 3.435    -1.019    -0.002    0.729    0    -0.039
  43. 3.61    -1.105    -0.15    0.855    0.008    -0.045
  44. 3.785    -1.191    -0.297    0.991    0.016    -0.053
  45. 3.959    -1.276    -0.429    1.078    0.023    -0.057
  46. 4.134    -1.362    -0.537    1.104    0.028    -0.059
  47. 4.309    -1.448    -0.617    1.073    0.033    -0.057
  48. 4.483    -1.534    -0.666    0.988    0.035    -0.052
  49. 4.658    -1.62    -0.678    0.848    0.036    -0.045
  50. 4.833    -1.706    -0.654    0.662    0.035    -0.035
  51. 5.007    -1.792    -0.615    0.46    0.033    -0.024
  52. 5.182    -1.878    -0.649    0.307    0.034    -0.016
  53. 5.357    -1.964    -0.807    0.215    0.043    -0.011
  54. 5.532    -2.05    -0.996    0.134    0.053    -0.007
  55. 5.706    -2.136    1.139    0.048    0.06    -0.003
  56. 5.881    -2.222    1.219    -0.041    0.065    0.002
  57. 6.056    -2.308    1.234    -0.128    0.065    0.007
  58. 6.231    -2.394    1.186    -0.209    0.063    0.011
  59. 6.405    -2.48    1.075    -0.278    0.057    0.015
  60. 6.58    -2.566    -0.905    -0.331    0.048    0.018
  61. 6.755    -2.652    -0.701    -0.374    0.037    0.02
  62. 6.929    -2.738    -0.552    -0.45    0.029    0.024
  63. 7.104    -2.824    -0.515    -0.618    0.027    0.033
  64. 7.279    -2.91    -0.517    -0.825    0.027    0.044
  65. 7.454    -2.996    -0.499    -1.001    0.026    0.053
  66. 7.628    -3.082    -0.454    -1.12    0.024    0.059
  67. 7.803    -3.168    -0.384    -1.18    0.02    0.063
  68. 7.978    -3.254    -0.295    -1.18    0.016    0.063
  69. 8.152    -3.34    -0.19    -1.117    0.01    0.059
  70. 8.327    -3.426    -0.075    -0.992    0.004    0.053
  71. 8.502    -3.512    0.045    -0.824    -0.002    0.044
  72. 8.677    -3.598    0.17    -0.695    -0.009    0.037
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