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Text File  |  1996-09-01  |  3.2 KB  |  150 lines
  1. "6  6    25.00   66.18300   33.81700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 1                    
  7. 26                    
  8. 6.983    0    1.148    0.535    -0.061    -0.028
  9. 6.811    0    1.219    0.568    -0.065    -0.03
  10. 6.639    0    1.237    0.577    -0.066    -0.031
  11. 6.468    0    1.205    0.562    -0.064    -0.03
  12. 6.296    0    1.12    0.522    -0.059    -0.028
  13. 6.124    0    0.977    0.456    -0.052    -0.024
  14. 5.952    0    0.784    0.365    -0.042    -0.019
  15. 5.781    0    0.609    0.284    -0.032    -0.015
  16. 5.609    0    0.632    0.295    -0.034    -0.016
  17. 5.437    0    0.821    0.383    -0.044    -0.02
  18. 5.266    0    1.008    0.47    -0.053    -0.025
  19. 5.094    0    1.14    0.532    -0.06    -0.028
  20. 4.922    0    1.215    0.567    -0.064    -0.03
  21. 4.751    0    1.238    0.577    -0.066    -0.031
  22. 4.579    0    1.209    0.564    -0.064    -0.03
  23. 4.407    0    1.128    0.526    -0.06    -0.028
  24. 4.236    0    0.99    0.462    -0.053    -0.025
  25. 4.065    0    0.799    0.373    -0.042    -0.02
  26. 3.893    0    0.617    0.289    -0.033    -0.015
  27. 3.722    0    0.621    0.291    -0.033    -0.015
  28. 3.551    0    0.805    0.378    -0.043    -0.02
  29. 3.381    -0.001    0.994    0.467    -0.053    -0.025
  30. 3.21    -0.001    1.13    0.531    -0.06    -0.028
  31. 3.041    -0.001    1.209    0.569    -0.064    -0.03
  32. 2.871    -0.001    1.237    0.583    -0.066    -0.031
  33. 2.7    -0.001    1.219    0.573    -0.065    -0.03
  34. 2.525    0.002    1.158    0.54    -0.061    -0.029
  35. 2.349    0.006    1.052    0.483    -0.056    -0.026
  36. 2.173    0.01    0.896    0.401    -0.048    -0.021
  37. 2.004    0.014    0.709    0.307    -0.038    -0.016
  38. 1.847    0.016    0.604    0.254    -0.032    -0.013
  39. 1.71    0.016    0.71    0.296    -0.038    -0.016
  40. 1.605    0.009    0.897    0.385    -0.048    -0.02
  41. 1.545    -0.01    1.066    0.487    -0.057    -0.026
  42. 1.526    -0.049    1.222    0.608    -0.065    -0.032
  43. 1.525    -0.093    1.383    0.738    -0.073    -0.039
  44. 1.527    -0.113    1.553    0.85    -0.082    -0.045
  45. 1.531    -0.093    1.729    0.929    -0.092    -0.049
  46. 1.538    -0.032    1.902    0.973    -0.101    -0.052
  47. 1.553    0.067    2.065    0.985    -0.11    -0.052
  48. 1.582    0.201    2.212    0.965    -0.117    -0.051
  49. 1.634    0.366    2.337    0.917    -0.124    -0.049
  50. 1.709    0.551    2.44    0.852    -0.129    -0.045
  51. 1.797    0.742    2.532    0.781    -0.134    -0.041
  52. 1.886    0.934    2.623    0.71    -0.139    -0.038
  53. 1.985    1.121    2.707    0.642    -0.144    -0.034
  54. 2.108    1.292    2.768    0.59    -0.147    -0.031
  55. 2.26    1.433    2.804    0.566    -0.149    -0.03
  56. 2.436    1.536    2.818    0.576    -0.15    -0.031
  57. 2.629    1.596    2.818    0.623    -0.149    -0.033
  58. 2.83    1.615    2.81    0.71    -0.149    -0.038
  59. 3.031    1.597    2.802    0.828    -0.149    -0.044
  60. 3.227    1.563    2.798    0.962    -0.148    -0.051
  61. 3.423    1.527    2.795    1.098    -0.148    -0.058
  62. 3.613    1.487    2.798    1.236    -0.148    -0.066
  63. 3.775    1.44    2.825    1.382    -0.15    -0.073
  64. 3.897    1.39    2.889    1.529    -0.153    -0.081
  65. 3.975    1.347    2.992    1.672    -0.159    -0.089
  66. 4.01    1.318    3.135    1.801    -0.166    -0.096
  67. 4.006    1.31    3.312    1.911    -0.176    -0.101
  68. 3.974    1.326    3.515    1.999    -0.186    -0.106
  69. 3.93    1.359    3.729    2.073    -0.198    -0.11
  70. 3.885    1.393    3.944    2.144    -0.209    -0.114
  71. 3.841    1.434    4.158    2.211    -0.221    -0.117
  72. 3.807    1.497    4.363    2.256    -0.231    -0.12
  73. 3.797    1.593    4.546    2.273    -0.241    -0.121
  74. 3.82    1.718    4.7    2.263    -0.249    -0.12
  75. 3.881    1.867    4.819    2.231    -0.256    -0.118
  76. 3.983    2.032    4.901    2.185    -0.26    -0.116
  77. 4.123    2.203    4.948    2.133    -0.262    -0.113
  78. 4.287    2.374    4.974    2.082    -0.264    -0.11
  79. 4.454    2.543    4.997    2.031    -0.265    -0.108
  80. 4.624    2.71    5.018    1.984    -0.266    -0.105
  81. 4.803    2.856    5.03    1.955    -0.267    -0.104
  82. 4.992    2.964    5.033    1.96    -0.267    -0.104
  83. 5.183    3.029    5.035    2.004    -0.267    -0.106
  84. 5.367    3.049    5.043    2.089    -0.267    -0.111
  85. 5.537    3.026    5.063    2.212    -0.269    -0.117
  86. 5.687    2.97    5.101    2.366    -0.271    -0.126
  87. 5.82    2.894    5.156    2.538    -0.273    -0.135
  88. 5.948    2.815    5.214    2.712    -0.277    -0.144
  89. 6.074    2.736    5.274    2.886    -0.28    -0.153
  90. 6.18    2.662    5.353    3.057    -0.284    -0.162
  91. 6.252    2.604    5.461    3.212    -0.29    -0.17
  92. 6.291    2.572    5.601    3.343    -0.297    -0.177
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