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Text File  |  1996-09-01  |  3.9 KB  |  150 lines
  1. "  8  2    35.00   27.92800   72.07200  [itraj,v,angle,Evib,Etrans]"                    
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  3.  
  4.  
  5.  
  6. 0                    
  7. 23                    
  8. 6.975    0    0.875    0.613    -0.046    -0.033
  9. 6.724    0    0.917    0.642    -0.049    -0.034
  10. 6.473    0    0.907    0.635    -0.048    -0.034
  11. 6.223    0    0.846    0.592    -0.045    -0.031
  12. 5.972    0    0.74    0.518    -0.039    -0.027
  13. 5.721    0    0.626    0.438    -0.033    -0.023
  14. 5.471    0    0.587    0.411    -0.031    -0.022
  15. 5.22    0    0.666    0.466    -0.035    -0.025
  16. 4.969    0    0.784    0.549    -0.042    -0.029
  17. 4.719    0    0.875    0.613    -0.046    -0.033
  18. 4.468    0    0.917    0.642    -0.049    -0.034
  19. 4.217    0    0.907    0.635    -0.048    -0.034
  20. 3.967    0    0.846    0.592    -0.045    -0.031
  21. 3.716    0    0.74    0.519    -0.039    -0.028
  22. 3.466    0    0.625    0.439    -0.033    -0.023
  23. 3.216    0    0.586    0.412    -0.031    -0.022
  24. 2.967    0    0.665    0.468    -0.035    -0.025
  25. 2.718    -0.001    0.782    0.552    -0.041    -0.029
  26. 2.471    -0.001    0.871    0.617    -0.046    -0.033
  27. 2.226    -0.003    0.912    0.649    -0.048    -0.034
  28. 1.985    -0.004    0.903    0.647    -0.048    -0.034
  29. 1.751    -0.005    0.851    0.613    -0.045    -0.033
  30. 1.535    -0.01    0.759    0.556    -0.04    -0.029
  31. 1.36    -0.026    0.641    0.5    -0.034    -0.027
  32. 1.255    -0.067    0.534    0.501    -0.028    -0.027
  33. 1.227    -0.141    0.483    0.616    -0.026    -0.033
  34. 1.259    -0.246    0.454    0.81    -0.024    -0.043
  35. 1.316    -0.372    0.404    1.006    -0.021    -0.053
  36. 1.375    -0.506    0.329    1.166    -0.017    -0.062
  37. 1.423    -0.643    0.236    1.283    -0.013    -0.068
  38. 1.458    -0.777    0.132    1.357    -0.007    -0.072
  39. 1.481    -0.906    0.022    1.387    -0.001    -0.074
  40. 1.494    -1.03    -0.09    1.374    0.005    -0.073
  41. 1.5    -1.151    -0.2    1.311    0.011    -0.07
  42. 1.503    -1.27    -0.302    1.195    0.016    -0.063
  43. 1.505    -1.388    -0.389    1.02    0.021    -0.054
  44. 1.506    -1.505    -0.456    0.791    0.024    -0.042
  45. 1.508    -1.624    -0.518    0.549    0.027    -0.029
  46. 1.51    -1.743    -0.65    0.373    0.034    -0.02
  47. 1.513    -1.862    -0.866    0.251    0.046    -0.013
  48. 1.516    -1.982    -1.074    0.13    0.057    -0.007
  49. 1.52    -2.101    -1.224    0.002    0.065    0
  50. 1.523    -2.221    -1.311    -0.126    0.07    0.007
  51. 1.527    -2.341    -1.339    -0.248    0.071    0.013
  52. 1.53    -2.461    -1.311    -0.361    0.07    0.019
  53. 1.534    -2.582    -1.229    -0.458    0.065    0.024
  54. 1.538    -2.702    -1.092    -0.534    0.058    0.028
  55. 1.542    -2.823    -0.897    -0.582    0.048    0.031
  56. 1.546    -2.943    -0.655    -0.599    0.035    0.032
  57. 1.55    -3.064    -0.409    -0.619    0.022    0.033
  58. 1.554    -3.185    -0.22    -0.73    0.012    0.039
  59. 1.558    -3.305    -0.062    -0.925    0.003    0.049
  60. 1.563    -3.427    0.096    -1.099    -0.005    0.058
  61. 1.567    -3.548    0.248    -1.214    -0.013    0.064
  62. 1.572    -3.67    0.387    -1.266    -0.021    0.067
  63. 1.577    -3.791    0.509    -1.262    -0.027    0.067
  64. 1.581    -3.913    0.61    -1.206    -0.032    0.064
  65. 1.586    -4.035    0.685    -1.098    -0.036    0.058
  66. 1.591    -4.158    0.728    -0.939    -0.039    0.05
  67. 1.596    -4.28    0.732    -0.73    -0.039    0.039
  68. 1.601    -4.402    0.699    -0.484    -0.037    0.026
  69. 1.606    -4.525    0.687    -0.246    -0.036    0.013
  70. 1.611    -4.647    0.788    -0.047    -0.042    0.002
  71. 1.616    -4.77    0.954    0.144    -0.051    -0.008
  72. 1.621    -4.892    1.087    0.327    -0.058    -0.017
  73. 1.626    -5.015    1.16    0.493    -0.062    -0.026
  74. 1.631    -5.137    1.175    0.634    -0.062    -0.034
  75. 1.636    -5.259    1.14    0.748    -0.06    -0.04
  76. 1.641    -5.382    1.058    0.831    -0.056    -0.044
  77. 1.646    -5.504    0.93    0.878    -0.049    -0.047
  78. 1.651    -5.627    0.758    0.883    -0.04    -0.047
  79. 1.656    -5.749    0.544    0.84    -0.029    -0.045
  80. 1.661    -5.872    0.306    0.761    -0.016    -0.04
  81. 1.666    -5.994    0.078    0.721    -0.004    -0.038
  82. 1.671    -6.117    -0.136    0.806    0.007    -0.043
  83. 1.676    -6.239    -0.353    0.934    0.019    -0.05
  84. 1.681    -6.362    -0.553    1.021    0.029    -0.054
  85. 1.686    -6.484    -0.723    1.053    0.038    -0.056
  86. 1.691    -6.606    -0.858    1.034    0.046    -0.055
  87. 1.696    -6.729    -0.957    0.971    0.051    -0.052
  88. 1.701    -6.851    -1.016    0.868    0.054    -0.046
  89. 1.706    -6.974    -1.031    0.727    0.055    -0.039
  90. 1.711    -7.096    -0.995    0.55    0.053    -0.029
  91. 1.716    -7.219    -0.904    0.344    0.048    -0.018
  92. 1.721    -7.341    -0.782    0.123    0.041    -0.007
  93. 1.726    -7.464    -0.723    -0.093    0.038    0.005
  94. 1.731    -7.586    -0.784    -0.323    0.042    0.017
  95. 1.736    -7.708    -0.867    -0.557    0.046    0.03
  96. 1.741    -7.831    -0.908    -0.763    0.048    0.04
  97. 1.746    -7.953    -0.9    -0.929    0.048    0.049
  98. 1.751    -8.076    -0.85    -1.05    0.045    0.056
  99. 1.756    -8.198    -0.764    -1.128    0.041    0.06
  100. 1.761    -8.321    -0.646    -1.158    0.034    0.061
  101. 1.766    -8.443    -0.5    -1.138    0.027    0.06
  102. 1.771    -8.566    -0.328    -1.06    0.017    0.056
  103. 1.776    -8.688    -0.139    -0.923    0.007    0.049
  104. 1.781    -8.81    0.056    -0.765    -0.003    0.041
  105. 1.786    -8.933    0.263    -0.69    -0.014    0.037
  106. 1.791    -9.055    0.505    -0.721    -0.027    0.038
  107. 1.796    -9.178    0.747    -0.756    -0.04    0.04
  108. 1.801    -9.3    0.948    -0.751    -0.05    0.04
  109. 1.806    -9.423    1.1    -0.706    -0.058    0.037
  110. 1.811    -9.545    1.202    -0.63    -0.064    0.033
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