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Text File  |  1996-09-01  |  4.2 KB  |  150 lines
  1. "8  5    35.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
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  3.  
  4.  
  5.  
  6. 1                    
  7. 25                    
  8. 6.981    0    0.997    0.698    -0.053    -0.037
  9. 6.788    0    1.057    0.74    -0.056    -0.039
  10. 6.595    0    1.068    0.747    -0.057    -0.04
  11. 6.402    0    1.028    0.72    -0.055    -0.038
  12. 6.209    0    0.938    0.657    -0.05    -0.035
  13. 6.017    0    0.796    0.557    -0.042    -0.03
  14. 5.824    0    0.626    0.439    -0.033    -0.023
  15. 5.631    0    0.541    0.379    -0.029    -0.02
  16. 5.438    0    0.643    0.45    -0.034    -0.024
  17. 5.245    0    0.813    0.569    -0.043    -0.03
  18. 5.052    0    0.95    0.665    -0.05    -0.035
  19. 4.86    0    1.035    0.725    -0.055    -0.038
  20. 4.667    0    1.069    0.748    -0.057    -0.04
  21. 4.474    0    1.053    0.738    -0.056    -0.039
  22. 4.281    0    0.987    0.692    -0.052    -0.037
  23. 4.089    0    0.869    0.609    -0.046    -0.032
  24. 3.896    0    0.705    0.495    -0.037    -0.026
  25. 3.704    0    0.559    0.392    -0.03    -0.021
  26. 3.512    0    0.575    0.404    -0.031    -0.021
  27. 3.32    0    0.732    0.516    -0.039    -0.027
  28. 3.128    -0.001    0.89    0.627    -0.047    -0.033
  29. 2.937    -0.001    0.998    0.705    -0.053    -0.037
  30. 2.747    -0.001    1.055    0.747    -0.056    -0.04
  31. 2.557    -0.002    1.063    0.754    -0.056    -0.04
  32. 2.367    -0.002    1.026    0.727    -0.054    -0.039
  33. 2.178    0    0.944    0.666    -0.05    -0.035
  34. 1.992    0.002    0.815    0.572    -0.043    -0.03
  35. 1.816    0.001    0.652    0.458    -0.035    -0.024
  36. 1.658    -0.003    0.539    0.39    -0.029    -0.021
  37. 1.527    -0.014    0.592    0.459    -0.031    -0.024
  38. 1.436    -0.036    0.723    0.613    -0.038    -0.033
  39. 1.393    -0.073    0.828    0.77    -0.044    -0.041
  40. 1.389    -0.112    0.903    0.898    -0.048    -0.048
  41. 1.418    -0.135    0.963    0.986    -0.051    -0.052
  42. 1.459    -0.124    1.035    1.04    -0.055    -0.055
  43. 1.489    -0.073    1.132    1.069    -0.06    -0.057
  44. 1.503    0.018    1.251    1.073    -0.066    -0.057
  45. 1.507    0.152    1.387    1.046    -0.074    -0.055
  46. 1.507    0.315    1.533    0.995    -0.081    -0.053
  47. 1.505    0.449    1.688    0.976    -0.09    -0.052
  48. 1.475    0.493    1.874    1.038    -0.099    -0.055
  49. 1.428    0.508    2.076    1.129    -0.11    -0.06
  50. 1.398    0.54    2.262    1.204    -0.12    -0.064
  51. 1.39    0.593    2.421    1.258    -0.128    -0.067
  52. 1.399    0.659    2.554    1.295    -0.135    -0.069
  53. 1.422    0.733    2.662    1.318    -0.141    -0.07
  54. 1.462    0.815    2.745    1.329    -0.146    -0.07
  55. 1.523    0.905    2.8    1.329    -0.149    -0.071
  56. 1.614    1.003    2.824    1.319    -0.15    -0.07
  57. 1.744    1.111    2.812    1.3    -0.149    -0.069
  58. 1.917    1.226    2.76    1.273    -0.146    -0.068
  59. 2.11    1.344    2.691    1.245    -0.143    -0.066
  60. 2.225    1.483    2.693    1.197    -0.143    -0.064
  61. 2.247    1.671    2.779    1.106    -0.147    -0.059
  62. 2.268    1.856    2.866    1.016    -0.152    -0.054
  63. 2.313    2.006    2.93    0.959    -0.155    -0.051
  64. 2.382    2.119    2.974    0.935    -0.158    -0.05
  65. 2.469    2.194    3.002    0.945    -0.159    -0.05
  66. 2.571    2.234    3.016    0.988    -0.16    -0.052
  67. 2.687    2.236    3.017    1.065    -0.16    -0.056
  68. 2.814    2.194    3.008    1.18    -0.16    -0.063
  69. 2.95    2.111    2.991    1.334    -0.159    -0.071
  70. 3.089    2.026    2.972    1.49    -0.158    -0.079
  71. 3.256    2.042    2.927    1.554    -0.155    -0.082
  72. 3.462    2.129    2.847    1.554    -0.151    -0.082
  73. 3.654    2.204    2.78    1.564    -0.147    -0.083
  74. 3.809    2.253    2.746    1.598    -0.146    -0.085
  75. 3.928    2.279    2.745    1.653    -0.146    -0.088
  76. 4.011    2.286    2.776    1.725    -0.147    -0.092
  77. 4.058    2.277    2.84    1.812    -0.151    -0.096
  78. 4.066    2.254    2.939    1.912    -0.156    -0.101
  79. 4.032    2.217    3.077    2.024    -0.163    -0.107
  80. 3.959    2.172    3.249    2.143    -0.172    -0.114
  81. 3.908    2.124    3.401    2.265    -0.18    -0.12
  82. 3.971    2.041    3.451    2.419    -0.183    -0.128
  83. 4.08    1.933    3.459    2.595    -0.183    -0.138
  84. 4.168    1.848    3.485    2.75    -0.185    -0.146
  85. 4.229    1.799    3.537    2.873    -0.188    -0.152
  86. 4.267    1.786    3.609    2.964    -0.191    -0.157
  87. 4.285    1.807    3.699    3.023    -0.196    -0.16
  88. 4.287    1.864    3.804    3.05    -0.202    -0.162
  89. 4.272    1.961    3.924    3.041    -0.208    -0.161
  90. 4.243    2.1    4.056    2.994    -0.215    -0.159
  91. 4.208    2.271    4.195    2.918    -0.223    -0.155
  92. 4.167    2.392    4.339    2.888    -0.23    -0.153
  93. 4.089    2.398    4.516    2.96    -0.24    -0.157
  94. 4    2.384    4.702    3.052    -0.249    -0.162
  95. 3.939    2.395    4.864    3.121    -0.258    -0.166
  96. 3.914    2.435    4.993    3.164    -0.265    -0.168
  97. 3.923    2.497    5.091    3.185    -0.27    -0.169
  98. 3.966    2.58    5.159    3.189    -0.274    -0.169
  99. 4.045    2.681    5.194    3.177    -0.276    -0.169
  100. 4.164    2.799    5.193    3.148    -0.275    -0.167
  101. 4.325    2.931    5.154    3.107    -0.273    -0.165
  102. 4.505    3.069    5.098    3.061    -0.27    -0.162
  103. 4.607    3.216    5.112    3.008    -0.271    -0.16
  104. 4.608    3.397    5.217    2.922    -0.277    -0.155
  105. 4.608    3.576    5.324    2.839    -0.282    -0.151
  106. 4.637    3.724    5.404    2.784    -0.287    -0.148
  107. 4.695    3.838    5.459    2.759    -0.29    -0.146
  108. 4.776    3.919    5.492    2.765    -0.291    -0.147
  109. 4.877    3.966    5.506    2.801    -0.292    -0.149
  110. 4.998    3.978    5.503    2.869    -0.292    -0.152
  111. 5.138    3.949    5.484    2.974    -0.291    -0.158
  112. 5.291    3.88    5.451    3.115    -0.289    -0.165
  113. 5.448    3.808    5.416    3.258    -0.287    -0.173
  114. 5.618    3.839    5.369    3.309    -0.285    -0.176
  115. 5.815    3.948    5.297    3.289    -0.281    -0.174
  116. 6.001    4.044    5.236    3.281    -0.278    -0.174
  117. 6.154    4.108    5.204    3.301    -0.276    -0.175
  118. 6.275    4.144    5.201    3.347    -0.276    -0.178
  119. 6.363    4.156    5.228    3.415    -0.277    -0.181
  120. 6.419    4.147    5.284    3.502    -0.28    -0.186
  121. 6.438    4.117    5.373    3.608    -0.285    -0.191
  122. 6.417    4.068    5.499    3.731    -0.292    -0.198
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