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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "  9  0    40.00    5.83200   94.16800  [itraj,v,angle,Evib,Etrans]"                    
  2.  
  3.  
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  5.  
  6. 3                    
  7. 21                    
  8. 6.971    0    0.724    0.608    -0.038    -0.032
  9. 6.685    0    0.742    0.622    -0.039    -0.033
  10. 6.398    0    0.728    0.611    -0.039    -0.032
  11. 6.112    0    0.687    0.576    -0.036    -0.031
  12. 5.825    0    0.636    0.534    -0.034    -0.028
  13. 5.538    0    0.607    0.51    -0.032    -0.027
  14. 5.252    0    0.622    0.522    -0.033    -0.028
  15. 4.965    0    0.669    0.562    -0.035    -0.03
  16. 4.679    0    0.716    0.601    -0.038    -0.032
  17. 4.392    0    0.74    0.621    -0.039    -0.033
  18. 4.106    0    0.733    0.616    -0.039    -0.033
  19. 3.819    0    0.698    0.586    -0.037    -0.031
  20. 3.533    0    0.647    0.543    -0.034    -0.029
  21. 3.247    0    0.61    0.513    -0.032    -0.027
  22. 2.961    0    0.614    0.517    -0.033    -0.027
  23. 2.676    -0.001    0.655    0.553    -0.035    -0.029
  24. 2.393    -0.001    0.703    0.596    -0.037    -0.032
  25. 2.112    -0.003    0.731    0.624    -0.039    -0.033
  26. 1.839    -0.005    0.728    0.629    -0.039    -0.033
  27. 1.579    -0.012    0.691    0.615    -0.037    -0.033
  28. 1.353    -0.03    0.626    0.596    -0.033    -0.032
  29. 1.186    -0.071    0.545    0.605    -0.029    -0.032
  30. 1.1    -0.153    0.459    0.679    -0.024    -0.036
  31. 1.081    -0.278    0.367    0.82    -0.019    -0.044
  32. 1.09    -0.431    0.263    0.989    -0.014    -0.052
  33. 1.095    -0.595    0.145    1.148    -0.008    -0.061
  34. 1.076    -0.751    0.019    1.285    -0.001    -0.068
  35. 1.024    -0.889    -0.112    1.4    0.006    -0.074
  36. 0.934    -0.997    -0.244    1.501    0.013    -0.08
  37. 0.803    -1.066    -0.377    1.595    0.02    -0.085
  38. 0.634    -1.086    -0.511    1.687    0.027    -0.09
  39. 0.433    -1.053    -0.646    1.781    0.034    -0.094
  40. 0.213    -0.979    -0.783    1.877    0.042    -0.1
  41. -0.007    -0.921    -0.919    1.974    0.049    -0.105
  42. -0.232    -0.934    -1.056    2.067    0.056    -0.11
  43. -0.463    -0.977    -1.194    2.159    0.063    -0.115
  44. -0.674    -0.988    -1.331    2.253    0.071    -0.12
  45. -0.844    -0.952    -1.466    2.349    0.078    -0.125
  46. -0.963    -0.87    -1.598    2.448    0.085    -0.13
  47. -1.028    -0.75    -1.728    2.549    0.092    -0.135
  48. -1.033    -0.597    -1.855    2.651    0.098    -0.141
  49. -0.975    -0.419    -1.979    2.755    0.105    -0.146
  50. -0.86    -0.226    -2.1    2.86    0.111    -0.152
  51. -0.72    -0.03    -2.221    2.964    0.118    -0.157
  52. -0.628    0.177    -2.343    3.07    0.124    -0.163
  53. -0.596    0.409    -2.469    3.176    0.131    -0.168
  54. -0.563    0.636    -2.594    3.283    0.138    -0.174
  55. -0.497    0.824    -2.718    3.388    0.144    -0.18
  56. -0.394    0.955    -2.841    3.49    0.151    -0.185
  57. -0.262    1.025    -2.961    3.589    0.157    -0.19
  58. -0.108    1.031    -3.081    3.685    0.163    -0.195
  59. 0.06    0.972    -3.2    3.778    0.17    -0.2
  60. 0.235    0.846    -3.319    3.867    0.176    -0.205
  61. 0.408    0.672    -3.438    3.955    0.182    -0.21
  62. 0.585    0.504    -3.557    4.043    0.189    -0.214
  63. 0.797    0.396    -3.674    4.133    0.195    -0.219
  64. 1.033    0.318    -3.79    4.225    0.201    -0.224
  65. 1.243    0.224    -3.907    4.317    0.207    -0.229
  66. 1.396    0.105    -4.027    4.407    0.214    -0.234
  67. 1.483    -0.032    -4.151    4.496    0.22    -0.239
  68. 1.504    -0.18    -4.277    4.585    0.227    -0.243
  69. 1.458    -0.331    -4.406    4.673    0.234    -0.248
  70. 1.344    -0.478    -4.539    4.762    0.241    -0.253
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