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Text File  |  1996-09-01  |  4.0 KB  |  150 lines
  1. "8  3    35.00   38.23300   61.76700  [itraj,v,angle,Evib,Etrans]"                    
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  3.  
  4.  
  5.  
  6. 0                    
  7. 24                    
  8. 6.977    0    0.917    0.642    -0.049    -0.034
  9. 6.745    0    0.966    0.677    -0.051    -0.036
  10. 6.513    0    0.963    0.674    -0.051    -0.036
  11. 6.28    0    0.906    0.634    -0.048    -0.034
  12. 6.048    0    0.799    0.559    -0.042    -0.03
  13. 5.816    0    0.66    0.462    -0.035    -0.025
  14. 5.584    0    0.569    0.398    -0.03    -0.021
  15. 5.352    0    0.621    0.435    -0.033    -0.023
  16. 5.12    0    0.757    0.53    -0.04    -0.028
  17. 4.888    0    0.878    0.615    -0.047    -0.033
  18. 4.656    0    0.951    0.666    -0.05    -0.035
  19. 4.424    0    0.971    0.68    -0.051    -0.036
  20. 4.192    0    0.938    0.657    -0.05    -0.035
  21. 3.96    0    0.852    0.597    -0.045    -0.032
  22. 3.728    0    0.722    0.506    -0.038    -0.027
  23. 3.497    0    0.595    0.417    -0.032    -0.022
  24. 3.265    0    0.579    0.407    -0.031    -0.022
  25. 3.034    -0.001    0.693    0.488    -0.037    -0.026
  26. 2.804    -0.001    0.827    0.584    -0.044    -0.031
  27. 2.575    -0.001    0.921    0.652    -0.049    -0.035
  28. 2.348    -0.002    0.964    0.685    -0.051    -0.036
  29. 2.122    -0.003    0.957    0.682    -0.051    -0.036
  30. 1.9    -0.002    0.905    0.645    -0.048    -0.034
  31. 1.687    -0.002    0.812    0.578    -0.043    -0.031
  32. 1.498    -0.006    0.686    0.497    -0.036    -0.026
  33. 1.358    -0.026    0.563    0.449    -0.03    -0.024
  34. 1.287    -0.069    0.521    0.513    -0.028    -0.027
  35. 1.284    -0.139    0.542    0.691    -0.029    -0.037
  36. 1.327    -0.235    0.549    0.893    -0.029    -0.047
  37. 1.388    -0.35    0.518    1.069    -0.027    -0.057
  38. 1.447    -0.474    0.457    1.206    -0.024    -0.064
  39. 1.495    -0.6    0.375    1.303    -0.02    -0.069
  40. 1.531    -0.725    0.277    1.36    -0.015    -0.072
  41. 1.556    -0.848    0.168    1.374    -0.009    -0.073
  42. 1.575    -0.968    0.052    1.342    -0.003    -0.071
  43. 1.589    -1.086    -0.067    1.257    0.004    -0.067
  44. 1.601    -1.203    -0.183    1.113    0.01    -0.059
  45. 1.613    -1.321    -0.289    0.909    0.015    -0.048
  46. 1.625    -1.438    -0.388    0.677    0.021    -0.036
  47. 1.638    -1.557    -0.529    0.505    0.028    -0.027
  48. 1.651    -1.675    -0.753    0.418    0.04    -0.022
  49. 1.665    -1.795    -0.988    0.341    0.052    -0.018
  50. 1.679    -1.914    -1.172    0.247    0.062    -0.013
  51. 1.693    -2.033    -1.295    0.141    0.069    -0.007
  52. 1.707    -2.153    -1.357    0.027    0.072    -0.001
  53. 1.722    -2.272    -1.364    -0.088    0.072    0.005
  54. 1.736    -2.392    -1.314    -0.199    0.07    0.011
  55. 1.75    -2.512    -1.206    -0.301    0.064    0.016
  56. 1.765    -2.632    -1.038    -0.387    0.055    0.021
  57. 1.779    -2.751    -0.812    -0.453    0.043    0.024
  58. 1.794    -2.871    -0.568    -0.51    0.03    0.027
  59. 1.809    -2.991    -0.385    -0.631    0.02    0.033
  60. 1.823    -3.112    -0.264    -0.844    0.014    0.045
  61. 1.838    -3.232    -0.146    -1.057    0.008    0.056
  62. 1.853    -3.352    -0.021    -1.213    0.001    0.064
  63. 1.868    -3.473    0.105    -1.307    -0.006    0.069
  64. 1.884    -3.594    0.226    -1.34    -0.012    0.071
  65. 1.899    -3.714    0.338    -1.318    -0.018    0.07
  66. 1.915    -3.835    0.436    -1.241    -0.023    0.066
  67. 1.93    -3.957    0.513    -1.108    -0.027    0.059
  68. 1.946    -4.078    0.564    -0.917    -0.03    0.049
  69. 1.961    -4.199    0.585    -0.677    -0.031    0.036
  70. 1.977    -4.321    0.605    -0.432    -0.032    0.023
  71. 1.993    -4.442    0.715    -0.244    -0.038    0.013
  72. 2.008    -4.563    0.913    -0.092    -0.048    0.005
  73. 2.024    -4.685    1.096    0.058    -0.058    -0.003
  74. 2.04    -4.806    1.218    0.206    -0.065    -0.011
  75. 2.055    -4.928    1.279    0.343    -0.068    -0.018
  76. 2.071    -5.049    1.282    0.465    -0.068    -0.025
  77. 2.087    -5.17    1.233    0.568    -0.065    -0.03
  78. 2.102    -5.292    1.132    0.647    -0.06    -0.034
  79. 2.118    -5.413    0.979    0.696    -0.052    -0.037
  80. 2.134    -5.535    0.774    0.708    -0.041    -0.038
  81. 2.149    -5.656    0.529    0.684    -0.028    -0.036
  82. 2.165    -5.777    0.288    0.672    -0.015    -0.036
  83. 2.181    -5.899    0.092    0.77    -0.005    -0.041
  84. 2.196    -6.02    -0.091    0.945    0.005    -0.05
  85. 2.212    -6.142    -0.268    1.091    0.014    -0.058
  86. 2.228    -6.263    -0.431    1.177    0.023    -0.062
  87. 2.243    -6.385    -0.572    1.205    0.03    -0.064
  88. 2.259    -6.506    -0.689    1.179    0.037    -0.063
  89. 2.275    -6.627    -0.777    1.106    0.041    -0.059
  90. 2.29    -6.749    -0.833    0.986    0.044    -0.052
  91. 2.306    -6.87    -0.849    0.819    0.045    -0.043
  92. 2.321    -6.992    -0.819    0.608    0.043    -0.032
  93. 2.337    -7.113    -0.75    0.368    0.04    -0.02
  94. 2.353    -7.234    -0.712    0.137    0.038    -0.007
  95. 2.368    -7.356    -0.797    -0.072    0.042    0.004
  96. 2.384    -7.477    -0.939    -0.28    0.05    0.015
  97. 2.4    -7.599    -1.045    -0.476    0.055    0.025
  98. 2.415    -7.72    -1.093    -0.646    0.058    0.034
  99. 2.431    -7.842    -1.089    -0.785    0.058    0.042
  100. 2.447    -7.963    -1.037    -0.89    0.055    0.047
  101. 2.462    -8.084    -0.943    -0.959    0.05    0.051
  102. 2.478    -8.206    -0.809    -0.986    0.043    0.052
  103. 2.494    -8.327    -0.635    -0.966    0.034    0.051
  104. 2.509    -8.449    -0.427    -0.893    0.023    0.047
  105. 2.525    -8.57    -0.201    -0.783    0.011    0.042
  106. 2.541    -8.691    0.019    -0.723    -0.001    0.038
  107. 2.556    -8.813    0.241    -0.79    -0.013    0.042
  108. 2.572    -8.934    0.469    -0.894    -0.025    0.047
  109. 2.588    -9.056    0.675    -0.958    -0.036    0.051
  110. 2.603    -9.177    0.844    -0.969    -0.045    0.051
  111. 2.619    -9.298    0.974    -0.934    -0.052    0.05
  112. 2.635    -9.42    1.062    -0.86    -0.056    0.046
  113. 2.65    -9.541    1.106    -0.75    -0.059    0.04
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