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Text File  |  1996-09-01  |  2.4 KB  |  150 lines
  1. "  3  0    10.00    5.83200   94.16800  [itraj,v,angle,Evib,Etrans]"                    
  2.  
  3.  
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  5.  
  6. 0                    
  7. 22                    
  8. 6.971    0    0.931    0.164    -0.049    -0.009
  9. 6.685    0    0.953    0.168    -0.051    -0.009
  10. 6.398    0    0.935    0.165    -0.05    -0.009
  11. 6.112    0    0.883    0.156    -0.047    -0.008
  12. 5.825    0    0.818    0.144    -0.043    -0.008
  13. 5.538    0    0.781    0.138    -0.041    -0.007
  14. 5.252    0    0.8    0.141    -0.042    -0.007
  15. 4.965    0    0.86    0.152    -0.046    -0.008
  16. 4.679    0    0.921    0.162    -0.049    -0.009
  17. 4.392    0    0.952    0.168    -0.05    -0.009
  18. 4.106    0    0.943    0.166    -0.05    -0.009
  19. 3.82    0    0.897    0.158    -0.048    -0.008
  20. 3.533    0    0.832    0.147    -0.044    -0.008
  21. 3.248    0    0.784    0.139    -0.042    -0.007
  22. 2.962    0    0.79    0.14    -0.042    -0.007
  23. 2.678    0    0.844    0.15    -0.045    -0.008
  24. 2.397    -0.001    0.907    0.162    -0.048    -0.009
  25. 2.12    -0.001    0.945    0.171    -0.05    -0.009
  26. 1.854    -0.003    0.949    0.175    -0.05    -0.009
  27. 1.615    -0.007    0.925    0.179    -0.049    -0.009
  28. 1.45    -0.027    0.866    0.198    -0.046    -0.011
  29. 1.404    -0.08    0.771    0.257    -0.041    -0.014
  30. 1.459    -0.168    0.684    0.368    -0.036    -0.02
  31. 1.569    -0.278    0.639    0.535    -0.034    -0.028
  32. 1.704    -0.402    0.605    0.726    -0.032    -0.039
  33. 1.849    -0.53    0.548    0.897    -0.029    -0.048
  34. 1.997    -0.662    0.46    1.022    -0.024    -0.054
  35. 2.147    -0.795    0.345    1.089    -0.018    -0.058
  36. 2.297    -0.928    0.21    1.095    -0.011    -0.058
  37. 2.448    -1.061    0.063    1.039    -0.003    -0.055
  38. 2.599    -1.195    -0.088    0.928    0.005    -0.049
  39. 2.75    -1.328    -0.237    0.79    0.013    -0.042
  40. 2.902    -1.462    -0.397    0.681    0.021    -0.036
  41. 3.053    -1.596    -0.587    0.622    0.031    -0.033
  42. 3.205    -1.73    -0.782    0.573    0.041    -0.03
  43. 3.356    -1.864    -0.944    0.502    0.05    -0.027
  44. 3.508    -1.997    -1.055    0.402    0.056    -0.021
  45. 3.659    -2.131    -1.105    0.28    0.059    -0.015
  46. 3.811    -2.265    -1.093    0.141    0.058    -0.008
  47. 3.962    -2.399    -1.019    -0.005    0.054    0
  48. 4.114    -2.533    -0.894    -0.151    0.047    0.008
  49. 4.266    -2.667    -0.752    -0.296    0.04    0.016
  50. 4.417    -2.8    -0.649    -0.459    0.034    0.024
  51. 4.569    -2.934    -0.591    -0.651    0.031    0.035
  52. 4.72    -3.068    -0.532    -0.84    0.028    0.045
  53. 4.872    -3.202    -0.448    -0.989    0.024    0.052
  54. 5.023    -3.336    -0.34    -1.083    0.018    0.057
  55. 5.175    -3.47    -0.212    -1.116    0.011    0.059
  56. 5.327    -3.604    -0.073    -1.085    0.004    0.058
  57. 5.478    -3.737    0.071    -0.993    -0.004    0.053
  58. 5.63    -3.871    0.212    -0.855    -0.011    0.045
  59. 5.781    -4.005    0.354    -0.713    -0.019    0.038
  60. 5.933    -4.139    0.521    -0.617    -0.028    0.033
  61. 6.084    -4.273    0.714    -0.555    -0.038    0.029
  62. 6.236    -4.407    0.894    -0.485    -0.047    0.026
  63. 6.388    -4.54    1.029    -0.392    -0.055    0.021
  64. 6.539    -4.674    1.106    -0.276    -0.059    0.015
  65. 6.691    -4.808    1.12    -0.144    -0.059    0.008
  66. 6.842    -4.942    1.071    -0.005    -0.057    0
  67. 6.994    -5.076    0.962    0.135    -0.051    -0.007
  68. 7.145    -5.21    0.814    0.271    -0.043    -0.014
  69. 7.297    -5.343    0.674    0.411    -0.036    -0.022
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