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Text File  |  1996-09-01  |  2.4 KB  |  150 lines
  1. "  4  0    15.00    5.83200   94.16800  [itraj,v,angle,Evib,Etrans]"                    
  2.  
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  6. 0                    
  7. 22                    
  8. 6.971    0    0.913    0.245    -0.048    -0.013
  9. 6.685    0    0.935    0.251    -0.05    -0.013
  10. 6.398    0    0.917    0.246    -0.049    -0.013
  11. 6.112    0    0.866    0.232    -0.046    -0.012
  12. 5.825    0    0.802    0.215    -0.043    -0.011
  13. 5.538    0    0.766    0.205    -0.041    -0.011
  14. 5.252    0    0.785    0.21    -0.042    -0.011
  15. 4.965    0    0.844    0.226    -0.045    -0.012
  16. 4.679    0    0.903    0.242    -0.048    -0.013
  17. 4.392    0    0.933    0.25    -0.05    -0.013
  18. 4.106    0    0.925    0.248    -0.049    -0.013
  19. 3.82    0    0.88    0.236    -0.047    -0.013
  20. 3.533    0    0.816    0.219    -0.043    -0.012
  21. 3.248    0    0.769    0.207    -0.041    -0.011
  22. 2.962    0    0.775    0.209    -0.041    -0.011
  23. 2.678    0    0.828    0.223    -0.044    -0.012
  24. 2.396    -0.001    0.889    0.241    -0.047    -0.013
  25. 2.119    -0.002    0.926    0.254    -0.049    -0.013
  26. 1.852    -0.004    0.929    0.259    -0.049    -0.014
  27. 1.609    -0.01    0.903    0.263    -0.048    -0.014
  28. 1.428    -0.031    0.848    0.283    -0.045    -0.015
  29. 1.349    -0.09    0.765    0.345    -0.041    -0.018
  30. 1.367    -0.189    0.678    0.462    -0.036    -0.025
  31. 1.444    -0.317    0.598    0.623    -0.032    -0.033
  32. 1.547    -0.462    0.512    0.798    -0.027    -0.042
  33. 1.66    -0.614    0.404    0.95    -0.021    -0.05
  34. 1.776    -0.769    0.273    1.055    -0.014    -0.056
  35. 1.894    -0.925    0.126    1.101    -0.007    -0.058
  36. 2.012    -1.082    -0.028    1.085    0.001    -0.058
  37. 2.13    -1.239    -0.181    1.009    0.01    -0.053
  38. 2.249    -1.396    -0.325    0.879    0.017    -0.047
  39. 2.368    -1.553    -0.459    0.722    0.024    -0.038
  40. 2.487    -1.71    -0.599    0.57    0.032    -0.03
  41. 2.606    -1.868    -0.758    0.437    0.04    -0.023
  42. 2.725    -2.025    -0.914    0.304    0.048    -0.016
  43. 2.844    -2.183    -1.033    0.159    0.055    -0.008
  44. 2.963    -2.34    -1.096    0.006    0.058    0
  45. 3.083    -2.498    -1.096    -0.148    0.058    0.008
  46. 3.202    -2.655    -1.034    -0.293    0.055    0.016
  47. 3.321    -2.813    -0.914    -0.421    0.049    0.022
  48. 3.44    -2.97    -0.749    -0.53    0.04    0.028
  49. 3.56    -3.128    -0.564    -0.626    0.03    0.033
  50. 3.679    -3.285    -0.39    -0.735    0.021    0.039
  51. 3.798    -3.443    -0.227    -0.863    0.012    0.046
  52. 3.917    -3.601    -0.062    -0.981    0.003    0.052
  53. 4.037    -3.758    0.105    -1.054    -0.006    0.056
  54. 4.156    -3.916    0.266    -1.069    -0.014    0.057
  55. 4.275    -4.073    0.412    -1.023    -0.022    0.054
  56. 4.395    -4.231    0.534    -0.919    -0.028    0.049
  57. 4.514    -4.388    0.627    -0.763    -0.033    0.04
  58. 4.633    -4.546    0.691    -0.572    -0.037    0.03
  59. 4.752    -4.704    0.746    -0.372    -0.04    0.02
  60. 4.872    -4.861    0.82    -0.18    -0.044    0.01
  61. 4.991    -5.019    0.912    0.007    -0.048    0
  62. 5.11    -5.176    0.983    0.192    -0.052    -0.01
  63. 5.23    -5.334    1.007    0.368    -0.053    -0.02
  64. 5.349    -5.491    0.974    0.523    -0.052    -0.028
  65. 5.468    -5.649    0.885    0.648    -0.047    -0.034
  66. 5.588    -5.807    0.747    0.736    -0.04    -0.039
  67. 5.707    -5.964    0.567    0.785    -0.03    -0.042
  68. 5.826    -6.122    0.363    0.801    -0.019    -0.042
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