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Text File  |  1996-09-01  |  3.0 KB  |  150 lines
  1. "4  5    15.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 25                    
  8. 6.981    0    1.175    0.315    -0.062    -0.017
  9. 6.788    0    1.247    0.334    -0.066    -0.018
  10. 6.595    0    1.259    0.337    -0.067    -0.018
  11. 6.402    0    1.213    0.325    -0.064    -0.017
  12. 6.209    0    1.106    0.296    -0.059    -0.016
  13. 6.017    0    0.939    0.252    -0.05    -0.013
  14. 5.824    0    0.739    0.198    -0.039    -0.011
  15. 5.631    0    0.638    0.171    -0.034    -0.009
  16. 5.438    0    0.759    0.203    -0.04    -0.011
  17. 5.245    0    0.959    0.257    -0.051    -0.014
  18. 5.052    0    1.12    0.3    -0.059    -0.016
  19. 4.86    0    1.22    0.327    -0.065    -0.017
  20. 4.667    0    1.26    0.338    -0.067    -0.018
  21. 4.474    0    1.242    0.333    -0.066    -0.018
  22. 4.282    0    1.164    0.312    -0.062    -0.017
  23. 4.089    0    1.024    0.275    -0.054    -0.015
  24. 3.897    0    0.831    0.223    -0.044    -0.012
  25. 3.705    0    0.659    0.177    -0.035    -0.009
  26. 3.513    0    0.679    0.183    -0.036    -0.01
  27. 3.321    0    0.865    0.234    -0.046    -0.012
  28. 3.13    0    1.051    0.284    -0.056    -0.015
  29. 2.94    -0.001    1.18    0.32    -0.063    -0.017
  30. 2.749    -0.001    1.249    0.339    -0.066    -0.018
  31. 2.556    0    1.271    0.343    -0.067    -0.018
  32. 2.352    0.004    1.261    0.333    -0.067    -0.018
  33. 2.131    0.015    1.24    0.309    -0.066    -0.016
  34. 1.897    0.032    1.218    0.275    -0.065    -0.015
  35. 1.695    0.04    1.173    0.248    -0.062    -0.013
  36. 1.601    0.01    1.049    0.258    -0.056    -0.014
  37. 1.607    -0.055    0.863    0.301    -0.046    -0.016
  38. 1.666    -0.135    0.663    0.364    -0.035    -0.019
  39. 1.753    -0.225    0.535    0.488    -0.028    -0.026
  40. 1.855    -0.32    0.499    0.702    -0.026    -0.037
  41. 1.963    -0.418    0.471    0.928    -0.025    -0.049
  42. 2.075    -0.518    0.419    1.108    -0.022    -0.059
  43. 2.187    -0.619    0.342    1.23    -0.018    -0.065
  44. 2.301    -0.72    0.249    1.292    -0.013    -0.069
  45. 2.414    -0.822    0.144    1.296    -0.008    -0.069
  46. 2.528    -0.924    0.033    1.241    -0.002    -0.066
  47. 2.642    -1.026    -0.08    1.122    0.004    -0.06
  48. 2.757    -1.128    -0.189    0.942    0.01    -0.05
  49. 2.871    -1.23    -0.293    0.73    0.016    -0.039
  50. 2.985    -1.332    -0.427    0.58    0.023    -0.031
  51. 3.1    -1.434    -0.64    0.538    0.034    -0.029
  52. 3.214    -1.536    -0.873    0.519    0.046    -0.028
  53. 3.329    -1.638    -1.065    0.477    0.056    -0.025
  54. 3.443    -1.741    -1.198    0.409    0.064    -0.022
  55. 3.558    -1.843    -1.273    0.32    0.068    -0.017
  56. 3.672    -1.945    -1.29    0.217    0.068    -0.012
  57. 3.787    -2.047    -1.248    0.104    0.066    -0.006
  58. 3.902    -2.149    -1.144    -0.014    0.061    0.001
  59. 4.016    -2.252    -0.976    -0.131    0.052    0.007
  60. 4.131    -2.354    -0.768    -0.245    0.041    0.013
  61. 4.246    -2.456    -0.61    -0.378    0.032    0.02
  62. 4.36    -2.558    -0.567    -0.583    0.03    0.031
  63. 4.475    -2.66    -0.56    -0.819    0.03    0.043
  64. 4.589    -2.763    -0.531    -1.02    0.028    0.054
  65. 4.704    -2.865    -0.472    -1.164    0.025    0.062
  66. 4.819    -2.967    -0.389    -1.25    0.021    0.066
  67. 4.933    -3.069    -0.289    -1.28    0.015    0.068
  68. 5.048    -3.172    -0.176    -1.251    0.009    0.066
  69. 5.162    -3.274    -0.054    -1.16    0.003    0.062
  70. 5.277    -3.376    0.071    -1.006    -0.004    0.053
  71. 5.392    -3.478    0.194    -0.805    -0.01    0.043
  72. 5.506    -3.58    0.329    -0.639    -0.017    0.034
  73. 5.621    -3.683    0.527    -0.592    -0.028    0.031
  74. 5.736    -3.785    0.763    -0.597    -0.04    0.032
  75. 5.85    -3.887    0.971    -0.58    -0.052    0.031
  76. 5.965    -3.989    1.125    -0.532    -0.06    0.028
  77. 6.079    -4.091    1.223    -0.457    -0.065    0.024
  78. 6.194    -4.194    1.264    -0.36    -0.067    0.019
  79. 6.309    -4.296    1.248    -0.248    -0.066    0.013
  80. 6.423    -4.398    1.171    -0.123    -0.062    0.007
  81. 6.538    -4.5    1.031    0.008    -0.055    0
  82. 6.653    -4.603    0.84    0.14    -0.045    -0.007
  83. 6.767    -4.705    0.668    0.278    -0.035    -0.015
  84. 6.882    -4.807    0.615    0.469    -0.033    -0.025
  85. 6.996    -4.909    0.629    0.705    -0.033    -0.037
  86. 7.111    -5.011    0.626    0.919    -0.033    -0.049
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