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Text File  |  1996-09-01  |  3.0 KB  |  150 lines
  1. "2  3     5.00   38.23300   61.76700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 24                    
  8. 6.977    0    1.115    0.098    -0.059    -0.005
  9. 6.745    0    1.175    0.103    -0.062    -0.005
  10. 6.513    0    1.171    0.102    -0.062    -0.005
  11. 6.28    0    1.102    0.096    -0.058    -0.005
  12. 6.048    0    0.971    0.085    -0.052    -0.005
  13. 5.816    0    0.803    0.07    -0.043    -0.004
  14. 5.584    0    0.692    0.061    -0.037    -0.003
  15. 5.352    0    0.755    0.066    -0.04    -0.004
  16. 5.12    0    0.92    0.081    -0.049    -0.004
  17. 4.888    0    1.067    0.093    -0.057    -0.005
  18. 4.656    0    1.156    0.101    -0.061    -0.005
  19. 4.424    0    1.18    0.103    -0.063    -0.005
  20. 4.192    0    1.14    0.1    -0.06    -0.005
  21. 3.96    0    1.036    0.091    -0.055    -0.005
  22. 3.729    0    0.878    0.077    -0.047    -0.004
  23. 3.498    0    0.723    0.063    -0.038    -0.003
  24. 3.267    0    0.705    0.062    -0.037    -0.003
  25. 3.036    0    0.845    0.075    -0.045    -0.004
  26. 2.807    0    1.009    0.089    -0.053    -0.005
  27. 2.579    0    1.124    0.1    -0.06    -0.005
  28. 2.351    0    1.184    0.105    -0.063    -0.006
  29. 2.116    0.001    1.21    0.106    -0.064    -0.006
  30. 1.878    0.003    1.224    0.104    -0.065    -0.005
  31. 1.7    -0.004    1.191    0.11    -0.063    -0.006
  32. 1.666    -0.041    1.048    0.144    -0.056    -0.008
  33. 1.721    -0.099    0.847    0.196    -0.045    -0.01
  34. 1.815    -0.165    0.655    0.266    -0.035    -0.014
  35. 1.928    -0.236    0.6    0.404    -0.032    -0.021
  36. 2.051    -0.311    0.658    0.618    -0.035    -0.033
  37. 2.179    -0.388    0.711    0.829    -0.038    -0.044
  38. 2.31    -0.467    0.725    0.996    -0.038    -0.053
  39. 2.443    -0.546    0.7    1.113    -0.037    -0.059
  40. 2.576    -0.626    0.644    1.179    -0.034    -0.063
  41. 2.71    -0.706    0.559    1.195    -0.03    -0.063
  42. 2.844    -0.786    0.45    1.158    -0.024    -0.061
  43. 2.979    -0.867    0.317    1.062    -0.017    -0.056
  44. 3.113    -0.947    0.167    0.908    -0.009    -0.048
  45. 3.248    -1.028    0.012    0.739    -0.001    -0.039
  46. 3.382    -1.108    -0.146    0.69    0.008    -0.037
  47. 3.517    -1.189    -0.334    0.797    0.018    -0.042
  48. 3.652    -1.269    -0.524    0.919    0.028    -0.049
  49. 3.787    -1.35    -0.687    0.994    0.036    -0.053
  50. 3.921    -1.43    -0.814    1.017    0.043    -0.054
  51. 4.056    -1.511    -0.903    0.993    0.048    -0.053
  52. 4.191    -1.592    -0.953    0.926    0.051    -0.049
  53. 4.326    -1.672    -0.961    0.818    0.051    -0.043
  54. 4.46    -1.753    -0.922    0.669    0.049    -0.036
  55. 4.595    -1.834    -0.832    0.484    0.044    -0.026
  56. 4.73    -1.914    -0.716    0.282    0.038    -0.015
  57. 4.865    -1.995    -0.685    0.108    0.036    -0.006
  58. 5    -2.075    -0.824    -0.037    0.044    0.002
  59. 5.134    -2.156    -1.006    -0.181    0.053    0.01
  60. 5.269    -2.237    -1.141    -0.314    0.061    0.017
  61. 5.404    -2.317    -1.214    -0.432    0.064    0.023
  62. 5.539    -2.398    -1.23    -0.528    0.065    0.028
  63. 5.674    -2.478    -1.192    -0.602    0.063    0.032
  64. 5.808    -2.559    -1.102    -0.65    0.058    0.034
  65. 5.943    -2.64    -0.96    -0.666    0.051    0.035
  66. 6.078    -2.72    -0.765    -0.646    0.041    0.034
  67. 6.213    -2.801    -0.537    -0.599    0.028    0.032
  68. 6.348    -2.882    -0.345    -0.599    0.018    0.032
  69. 6.482    -2.962    -0.239    -0.751    0.013    0.04
  70. 6.617    -3.043    -0.161    -0.971    0.009    0.051
  71. 6.752    -3.123    -0.077    -1.153    0.004    0.061
  72. 6.887    -3.204    0.011    -1.272    -0.001    0.067
  73. 7.022    -3.285    0.098    -1.329    -0.005    0.07
  74. 7.156    -3.365    0.181    -1.328    -0.01    0.07
  75. 7.291    -3.446    0.257    -1.269    -0.014    0.067
  76. 7.426    -3.527    0.32    -1.151    -0.017    0.061
  77. 7.561    -3.607    0.366    -0.972    -0.019    0.052
  78. 7.696    -3.688    0.394    -0.744    -0.021    0.039
  79. 7.83    -3.768    0.44    -0.542    -0.023    0.029
  80. 7.965    -3.849    0.594    -0.466    -0.031    0.025
  81. 8.1    -3.93    0.826    -0.46    -0.044    0.024
  82. 8.235    -4.01    1.035    -0.442    -0.055    0.023
  83. 8.37    -4.091    1.187    -0.401    -0.063    0.021
  84. 8.504    -4.171    1.281    -0.339    -0.068    0.018
  85. 8.639    -4.252    1.317    -0.262    -0.07    0.014
  86. 8.774    -4.333    1.297    -0.174    -0.069    0.009
  87. 8.909    -4.413    1.217    -0.078    -0.065    0.004
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