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Text File  |  1996-09-01  |  2.6 KB  |  150 lines
  1. "2  6     5.00   66.18300   33.81700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 1                    
  7. 26                    
  8. 6.983    0    1.261    0.11    -0.067    -0.006
  9. 6.811    0    1.339    0.117    -0.071    -0.006
  10. 6.639    0    1.36    0.119    -0.072    -0.006
  11. 6.468    0    1.325    0.116    -0.07    -0.006
  12. 6.296    0    1.231    0.108    -0.065    -0.006
  13. 6.124    0    1.074    0.094    -0.057    -0.005
  14. 5.952    0    0.861    0.075    -0.046    -0.004
  15. 5.781    0    0.67    0.059    -0.036    -0.003
  16. 5.609    0    0.694    0.061    -0.037    -0.003
  17. 5.437    0    0.903    0.079    -0.048    -0.004
  18. 5.266    0    1.108    0.097    -0.059    -0.005
  19. 5.094    0    1.253    0.11    -0.066    -0.006
  20. 4.922    0    1.335    0.117    -0.071    -0.006
  21. 4.751    0    1.36    0.119    -0.072    -0.006
  22. 4.579    0    1.329    0.116    -0.071    -0.006
  23. 4.408    0    1.24    0.109    -0.066    -0.006
  24. 4.236    0    1.088    0.095    -0.058    -0.005
  25. 4.065    0    0.878    0.077    -0.047    -0.004
  26. 3.894    0    0.678    0.06    -0.036    -0.003
  27. 3.723    0    0.684    0.06    -0.036    -0.003
  28. 3.552    0    0.887    0.078    -0.047    -0.004
  29. 3.382    0    1.095    0.097    -0.058    -0.005
  30. 3.212    0    1.244    0.11    -0.066    -0.006
  31. 3.042    0    1.332    0.118    -0.071    -0.006
  32. 2.871    0    1.367    0.121    -0.073    -0.006
  33. 2.692    0.001    1.365    0.119    -0.072    -0.006
  34. 2.498    0.003    1.339    0.113    -0.071    -0.006
  35. 2.283    0.007    1.305    0.102    -0.069    -0.005
  36. 2.048    0.014    1.273    0.087    -0.068    -0.005
  37. 1.825    0.021    1.231    0.073    -0.065    -0.004
  38. 1.692    0.02    1.119    0.065    -0.059    -0.003
  39. 1.674    0.012    0.926    0.064    -0.049    -0.003
  40. 1.723    0.001    0.713    0.069    -0.038    -0.004
  41. 1.809    -0.012    0.646    0.093    -0.034    -0.005
  42. 1.92    -0.027    0.812    0.153    -0.043    -0.008
  43. 2.05    -0.043    1.023    0.224    -0.054    -0.012
  44. 2.187    -0.06    1.202    0.288    -0.064    -0.015
  45. 2.311    -0.07    1.368    0.339    -0.073    -0.018
  46. 2.409    -0.067    1.547    0.375    -0.082    -0.02
  47. 2.475    -0.047    1.752    0.394    -0.093    -0.021
  48. 2.522    -0.015    1.975    0.402    -0.105    -0.021
  49. 2.588    0.001    2.182    0.425    -0.116    -0.023
  50. 2.707    -0.039    2.341    0.498    -0.124    -0.026
  51. 2.852    -0.113    2.478    0.602    -0.131    -0.032
  52. 2.989    -0.172    2.621    0.694    -0.139    -0.037
  53. 3.112    -0.196    2.778    0.752    -0.147    -0.04
  54. 3.22    -0.178    2.948    0.773    -0.156    -0.041
  55. 3.316    -0.118    3.129    0.757    -0.166    -0.04
  56. 3.405    -0.026    3.317    0.711    -0.176    -0.038
  57. 3.494    0.062    3.505    0.668    -0.186    -0.035
  58. 3.579    0.085    3.695    0.685    -0.196    -0.036
  59. 3.655    0.046    3.895    0.758    -0.207    -0.04
  60. 3.731    0.006    4.095    0.831    -0.217    -0.044
  61. 3.821    -0.002    4.281    0.876    -0.227    -0.046
  62. 3.931    0.028    4.45    0.887    -0.236    -0.047
  63. 4.064    0.095    4.597    0.863    -0.244    -0.046
  64. 4.219    0.194    4.726    0.811    -0.251    -0.043
  65. 4.382    0.304    4.846    0.749    -0.257    -0.04
  66. 4.511    0.384    4.998    0.715    -0.265    -0.038
  67. 4.578    0.421    5.206    0.719    -0.276    -0.038
  68. 4.626    0.447    5.431    0.732    -0.288    -0.039
  69. 4.698    0.482    5.633    0.738    -0.299    -0.039
  70. 4.812    0.527    5.799    0.734    -0.308    -0.039
  71. 4.968    0.582    5.926    0.722    -0.314    -0.038
  72. 5.166    0.643    6.015    0.705    -0.319    -0.037
  73. 5.389    0.706    6.081    0.685    -0.323    -0.036
  74. 5.59    0.772    6.168    0.663    -0.327    -0.035
  75. 5.716    0.852    6.322    0.628    -0.335    -0.033
  76. 5.8    0.945    6.514    0.581    -0.346    -0.031
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