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Text File  |  1996-09-01  |  3.4 KB  |  150 lines
  1. "2  5     5.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
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  5.  
  6. 0                    
  7. 25                    
  8. 6.981    0    1.212    0.106    -0.064    -0.006
  9. 6.788    0    1.286    0.112    -0.068    -0.006
  10. 6.595    0    1.298    0.114    -0.069    -0.006
  11. 6.402    0    1.251    0.109    -0.066    -0.006
  12. 6.209    0    1.141    0.1    -0.061    -0.005
  13. 6.017    0    0.968    0.085    -0.051    -0.004
  14. 5.824    0    0.762    0.067    -0.04    -0.004
  15. 5.631    0    0.658    0.058    -0.035    -0.003
  16. 5.438    0    0.782    0.068    -0.042    -0.004
  17. 5.245    0    0.989    0.087    -0.052    -0.005
  18. 5.052    0    1.155    0.101    -0.061    -0.005
  19. 4.86    0    1.259    0.11    -0.067    -0.006
  20. 4.667    0    1.3    0.114    -0.069    -0.006
  21. 4.474    0    1.281    0.112    -0.068    -0.006
  22. 4.282    0    1.2    0.105    -0.064    -0.006
  23. 4.089    0    1.056    0.093    -0.056    -0.005
  24. 3.897    0    0.857    0.075    -0.045    -0.004
  25. 3.705    0    0.68    0.06    -0.036    -0.003
  26. 3.513    0    0.701    0.062    -0.037    -0.003
  27. 3.321    0    0.893    0.079    -0.047    -0.004
  28. 3.13    0    1.085    0.096    -0.058    -0.005
  29. 2.94    0    1.218    0.108    -0.065    -0.006
  30. 2.75    0    1.291    0.114    -0.068    -0.006
  31. 2.553    0    1.319    0.116    -0.07    -0.006
  32. 2.341    0.003    1.326    0.113    -0.07    -0.006
  33. 2.107    0.008    1.336    0.105    -0.071    -0.006
  34. 1.884    0.012    1.337    0.098    -0.071    -0.005
  35. 1.776    -0.002    1.242    0.108    -0.066    -0.006
  36. 1.795    -0.04    1.047    0.139    -0.056    -0.007
  37. 1.858    -0.085    0.818    0.176    -0.043    -0.009
  38. 1.945    -0.134    0.626    0.23    -0.033    -0.012
  39. 2.044    -0.185    0.632    0.365    -0.034    -0.019
  40. 2.151    -0.239    0.759    0.568    -0.04    -0.03
  41. 2.263    -0.294    0.866    0.757    -0.046    -0.04
  42. 2.378    -0.351    0.926    0.908    -0.049    -0.048
  43. 2.495    -0.408    0.943    1.016    -0.05    -0.054
  44. 2.613    -0.466    0.923    1.086    -0.049    -0.058
  45. 2.731    -0.524    0.868    1.116    -0.046    -0.059
  46. 2.85    -0.583    0.781    1.105    -0.041    -0.059
  47. 2.97    -0.641    0.661    1.047    -0.035    -0.056
  48. 3.089    -0.7    0.508    0.937    -0.027    -0.05
  49. 3.209    -0.759    0.328    0.778    -0.017    -0.041
  50. 3.33    -0.818    0.158    0.653    -0.008    -0.035
  51. 3.45    -0.877    0.033    0.732    -0.002    -0.039
  52. 3.57    -0.936    -0.079    0.947    0.004    -0.05
  53. 3.69    -0.995    -0.187    1.138    0.01    -0.06
  54. 3.81    -1.054    -0.286    1.267    0.015    -0.067
  55. 3.931    -1.113    -0.371    1.337    0.02    -0.071
  56. 4.051    -1.172    -0.442    1.355    0.023    -0.072
  57. 4.171    -1.231    -0.497    1.323    0.026    -0.07
  58. 4.292    -1.29    -0.533    1.242    0.028    -0.066
  59. 4.412    -1.349    -0.547    1.109    0.029    -0.059
  60. 4.532    -1.408    -0.533    0.92    0.028    -0.049
  61. 4.653    -1.467    -0.492    0.683    0.026    -0.036
  62. 4.773    -1.526    -0.475    0.474    0.025    -0.025
  63. 4.893    -1.585    -0.61    0.411    0.032    -0.022
  64. 5.014    -1.644    -0.852    0.427    0.045    -0.023
  65. 5.134    -1.703    -1.071    0.434    0.057    -0.023
  66. 5.254    -1.762    -1.232    0.417    0.065    -0.022
  67. 5.375    -1.821    -1.335    0.381    0.071    -0.02
  68. 5.495    -1.88    -1.387    0.329    0.074    -0.017
  69. 5.615    -1.939    -1.388    0.266    0.074    -0.014
  70. 5.736    -1.998    -1.337    0.193    0.071    -0.01
  71. 5.856    -2.057    -1.23    0.111    0.065    -0.006
  72. 5.976    -2.116    -1.06    0.025    0.056    -0.001
  73. 6.097    -2.175    -0.836    -0.064    0.044    0.003
  74. 6.217    -2.234    -0.651    -0.159    0.035    0.008
  75. 6.337    -2.293    -0.67    -0.308    0.036    0.016
  76. 6.458    -2.352    -0.811    -0.506    0.043    0.027
  77. 6.578    -2.412    -0.93    -0.689    0.049    0.037
  78. 6.698    -2.471    -0.999    -0.834    0.053    0.044
  79. 6.819    -2.53    -1.022    -0.941    0.054    0.05
  80. 6.939    -2.589    -1.004    -1.012    0.053    0.054
  81. 7.059    -2.648    -0.95    -1.045    0.05    0.055
  82. 7.18    -2.707    -0.861    -1.039    0.046    0.055
  83. 7.3    -2.766    -0.735    -0.99    0.039    0.053
  84. 7.42    -2.825    -0.572    -0.89    0.03    0.047
  85. 7.541    -2.884    -0.38    -0.745    0.02    0.04
  86. 7.661    -2.943    -0.202    -0.638    0.011    0.034
  87. 7.781    -3.002    -0.086    -0.735    0.005    0.039
  88. 7.902    -3.061    0.009    -0.959    0    0.051
  89. 8.022    -3.12    0.103    -1.155    -0.005    0.061
  90. 8.142    -3.179    0.191    -1.289    -0.01    0.068
  91. 8.262    -3.238    0.27    -1.364    -0.014    0.072
  92. 8.383    -3.297    0.339    -1.385    -0.018    0.073
  93. 8.503    -3.356    0.396    -1.356    -0.021    0.072
  94. 8.623    -3.415    0.437    -1.276    -0.023    0.068
  95. 8.744    -3.474    0.461    -1.142    -0.024    0.061
  96. 8.864    -3.533    0.46    -0.949    -0.024    0.05
  97. 8.984    -3.592    0.437    -0.709    -0.023    0.038
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