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Text File  |  1996-09-01  |  2.4 KB  |  150 lines
  1. "  6  0    25.00    5.83200   94.16800  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 23                    
  8. 6.971    0    0.857    0.4    -0.045    -0.021
  9. 6.685    0    0.877    0.409    -0.047    -0.022
  10. 6.398    0    0.861    0.401    -0.046    -0.021
  11. 6.112    0    0.812    0.379    -0.043    -0.02
  12. 5.825    0    0.753    0.351    -0.04    -0.019
  13. 5.538    0    0.718    0.335    -0.038    -0.018
  14. 5.252    0    0.736    0.343    -0.039    -0.018
  15. 4.965    0    0.792    0.369    -0.042    -0.02
  16. 4.679    0    0.847    0.395    -0.045    -0.021
  17. 4.392    0    0.876    0.408    -0.046    -0.022
  18. 4.106    0    0.868    0.405    -0.046    -0.021
  19. 3.819    0    0.825    0.385    -0.044    -0.02
  20. 3.533    0    0.765    0.357    -0.041    -0.019
  21. 3.247    0    0.722    0.337    -0.038    -0.018
  22. 2.962    0    0.727    0.34    -0.039    -0.018
  23. 2.678    -0.001    0.776    0.364    -0.041    -0.019
  24. 2.395    -0.001    0.833    0.393    -0.044    -0.021
  25. 2.117    -0.002    0.867    0.413    -0.046    -0.022
  26. 1.847    -0.005    0.867    0.419    -0.046    -0.022
  27. 1.597    -0.012    0.834    0.417    -0.044    -0.022
  28. 1.391    -0.031    0.777    0.424    -0.041    -0.023
  29. 1.264    -0.08    0.702    0.466    -0.037    -0.025
  30. 1.23    -0.172    0.618    0.563    -0.033    -0.03
  31. 1.265    -0.304    0.527    0.706    -0.028    -0.037
  32. 1.334    -0.459    0.42    0.863    -0.022    -0.046
  33. 1.412    -0.626    0.293    0.999    -0.016    -0.053
  34. 1.493    -0.796    0.149    1.089    -0.008    -0.058
  35. 1.573    -0.967    -0.005    1.121    0    -0.059
  36. 1.653    -1.139    -0.159    1.093    0.008    -0.058
  37. 1.732    -1.311    -0.304    1.004    0.016    -0.053
  38. 1.812    -1.482    -0.434    0.861    0.023    -0.046
  39. 1.892    -1.655    -0.546    0.683    0.029    -0.036
  40. 1.972    -1.827    -0.659    0.502    0.035    -0.027
  41. 2.052    -2    -0.791    0.336    0.042    -0.018
  42. 2.133    -2.172    -0.928    0.174    0.049    -0.009
  43. 2.214    -2.345    -1.033    0.007    0.055    0
  44. 2.294    -2.518    -1.084    -0.161    0.057    0.009
  45. 2.375    -2.691    -1.072    -0.319    0.057    0.017
  46. 2.456    -2.864    -1    -0.459    0.053    0.024
  47. 2.536    -3.037    -0.871    -0.573    0.046    0.03
  48. 2.617    -3.21    -0.695    -0.656    0.037    0.035
  49. 2.698    -3.382    -0.491    -0.715    0.026    0.038
  50. 2.779    -3.555    -0.288    -0.776    0.015    0.041
  51. 2.859    -3.728    -0.093    -0.861    0.005    0.046
  52. 2.94    -3.901    0.1    -0.948    -0.005    0.05
  53. 3.021    -4.074    0.288    -1    -0.015    0.053
  54. 3.102    -4.247    0.461    -0.998    -0.024    0.053
  55. 3.183    -4.42    0.607    -0.939    -0.032    0.05
  56. 3.264    -4.593    0.719    -0.827    -0.038    0.044
  57. 3.345    -4.766    0.79    -0.668    -0.042    0.035
  58. 3.425    -4.939    0.819    -0.473    -0.043    0.025
  59. 3.506    -5.112    0.82    -0.261    -0.044    0.014
  60. 3.587    -5.285    0.826    -0.049    -0.044    0.003
  61. 3.668    -5.458    0.858    0.161    -0.045    -0.009
  62. 3.749    -5.631    0.888    0.37    -0.047    -0.02
  63. 3.83    -5.805    0.883    0.563    -0.047    -0.03
  64. 3.911    -5.978    0.83    0.725    -0.044    -0.038
  65. 3.992    -6.151    0.731    0.847    -0.039    -0.045
  66. 4.072    -6.324    0.589    0.919    -0.031    -0.049
  67. 4.153    -6.497    0.414    0.94    -0.022    -0.05
  68. 4.234    -6.67    0.217    0.912    -0.012    -0.048
  69. 4.315    -6.843    0.012    0.855    -0.001    -0.045
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