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Text File  |  1996-09-01  |  2.6 KB  |  150 lines
  1. "  7  1    30.00   17.12700   82.87300  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 24                    
  8. 6.973    0    0.877    0.507    -0.047    -0.027
  9. 6.704    0    0.912    0.527    -0.048    -0.028
  10. 6.435    0    0.896    0.517    -0.048    -0.027
  11. 6.167    0    0.833    0.481    -0.044    -0.025
  12. 5.898    0    0.737    0.425    -0.039    -0.023
  13. 5.629    0    0.656    0.379    -0.035    -0.02
  14. 5.36    0    0.657    0.379    -0.035    -0.02
  15. 5.091    0    0.739    0.427    -0.039    -0.023
  16. 4.822    0    0.835    0.482    -0.044    -0.026
  17. 4.554    0    0.897    0.518    -0.048    -0.027
  18. 4.285    0    0.912    0.526    -0.048    -0.028
  19. 4.016    0    0.876    0.506    -0.046    -0.027
  20. 3.748    0    0.796    0.46    -0.042    -0.024
  21. 3.479    0    0.698    0.404    -0.037    -0.021
  22. 3.211    0    0.643    0.372    -0.034    -0.02
  23. 2.944    0    0.683    0.396    -0.036    -0.021
  24. 2.677    -0.001    0.778    0.453    -0.041    -0.024
  25. 2.412    -0.001    0.862    0.504    -0.046    -0.027
  26. 2.15    -0.003    0.904    0.532    -0.048    -0.028
  27. 1.895    -0.005    0.9    0.534    -0.048    -0.028
  28. 1.651    -0.008    0.855    0.515    -0.045    -0.027
  29. 1.438    -0.018    0.778    0.488    -0.041    -0.026
  30. 1.286    -0.049    0.678    0.48    -0.036    -0.025
  31. 1.222    -0.117    0.576    0.528    -0.031    -0.028
  32. 1.238    -0.225    0.493    0.656    -0.026    -0.035
  33. 1.3    -0.361    0.413    0.834    -0.022    -0.044
  34. 1.379    -0.512    0.317    1.003    -0.017    -0.053
  35. 1.459    -0.668    0.202    1.129    -0.011    -0.06
  36. 1.537    -0.824    0.074    1.201    -0.004    -0.064
  37. 1.612    -0.981    -0.059    1.213    0.003    -0.064
  38. 1.685    -1.137    -0.189    1.165    0.01    -0.062
  39. 1.759    -1.293    -0.309    1.054    0.016    -0.056
  40. 1.832    -1.449    -0.412    0.885    0.022    -0.047
  41. 1.905    -1.605    -0.5    0.679    0.026    -0.036
  42. 1.979    -1.762    -0.601    0.487    0.032    -0.026
  43. 2.053    -1.919    -0.758    0.34    0.04    -0.018
  44. 2.127    -2.075    -0.939    0.207    0.05    -0.011
  45. 2.202    -2.232    -1.085    0.068    0.058    -0.004
  46. 2.276    -2.389    -1.17    -0.075    0.062    0.004
  47. 2.35    -2.547    -1.191    -0.214    0.063    0.011
  48. 2.425    -2.704    -1.148    -0.342    0.061    0.018
  49. 2.499    -2.861    -1.044    -0.451    0.055    0.024
  50. 2.573    -3.018    -0.881    -0.535    0.047    0.028
  51. 2.648    -3.175    -0.673    -0.592    0.036    0.031
  52. 2.722    -3.332    -0.456    -0.644    0.024    0.034
  53. 2.797    -3.489    -0.27    -0.745    0.014    0.04
  54. 2.871    -3.646    -0.107    -0.898    0.006    0.048
  55. 2.946    -3.804    0.056    -1.037    -0.003    0.055
  56. 3.02    -3.961    0.216    -1.121    -0.011    0.059
  57. 3.095    -4.118    0.364    -1.143    -0.019    0.061
  58. 3.169    -4.275    0.492    -1.104    -0.026    0.059
  59. 3.244    -4.433    0.594    -1.006    -0.032    0.053
  60. 3.318    -4.59    0.663    -0.852    -0.035    0.045
  61. 3.393    -4.747    0.696    -0.651    -0.037    0.035
  62. 3.468    -4.904    0.705    -0.426    -0.037    0.023
  63. 3.542    -5.062    0.743    -0.216    -0.039    0.011
  64. 3.617    -5.219    0.85    -0.026    -0.045    0.001
  65. 3.691    -5.376    0.971    0.161    -0.052    -0.009
  66. 3.766    -5.534    1.051    0.34    -0.056    -0.018
  67. 3.84    -5.691    1.071    0.5    -0.057    -0.027
  68. 3.915    -5.848    1.033    0.632    -0.055    -0.034
  69. 3.99    -6.005    0.94    0.731    -0.05    -0.039
  70. 4.064    -6.163    0.796    0.791    -0.042    -0.042
  71. 4.139    -6.32    0.608    0.805    -0.032    -0.043
  72. 4.213    -6.477    0.389    0.782    -0.021    -0.041
  73. 4.288    -6.635    0.169    0.761    -0.009    -0.04
  74. 4.362    -6.792    -0.038    0.805    0.002    -0.043
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