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Text File  |  1996-09-01  |  2.4 KB  |  150 lines
  1. "  5  0    20.00    5.83200   94.16800  [itraj,v,angle,Evib,Etrans]"                    
  2.  
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  6. 0                    
  7. 23                    
  8. 6.971    0    0.888    0.323    -0.047    -0.017
  9. 6.685    0    0.91    0.331    -0.048    -0.018
  10. 6.398    0    0.893    0.325    -0.047    -0.017
  11. 6.112    0    0.842    0.307    -0.045    -0.016
  12. 5.825    0    0.781    0.284    -0.041    -0.015
  13. 5.538    0    0.745    0.271    -0.04    -0.014
  14. 5.252    0    0.763    0.278    -0.04    -0.015
  15. 4.965    0    0.821    0.299    -0.044    -0.016
  16. 4.679    0    0.878    0.32    -0.047    -0.017
  17. 4.392    0    0.908    0.331    -0.048    -0.018
  18. 4.106    0    0.9    0.328    -0.048    -0.017
  19. 3.82    0    0.856    0.312    -0.045    -0.017
  20. 3.533    0    0.794    0.289    -0.042    -0.015
  21. 3.248    0    0.748    0.273    -0.04    -0.014
  22. 2.962    0    0.754    0.275    -0.04    -0.015
  23. 2.678    0    0.805    0.295    -0.043    -0.016
  24. 2.396    -0.001    0.864    0.319    -0.046    -0.017
  25. 2.118    -0.002    0.9    0.335    -0.048    -0.018
  26. 1.85    -0.005    0.901    0.341    -0.048    -0.018
  27. 1.603    -0.011    0.872    0.343    -0.046    -0.018
  28. 1.408    -0.032    0.818    0.357    -0.043    -0.019
  29. 1.301    -0.086    0.742    0.412    -0.039    -0.022
  30. 1.29    -0.184    0.658    0.52    -0.035    -0.028
  31. 1.342    -0.316    0.568    0.67    -0.03    -0.036
  32. 1.426    -0.469    0.465    0.831    -0.025    -0.044
  33. 1.52    -0.632    0.34    0.969    -0.018    -0.051
  34. 1.617    -0.798    0.196    1.062    -0.01    -0.056
  35. 1.715    -0.965    0.04    1.097    -0.002    -0.058
  36. 1.814    -1.133    -0.118    1.071    0.006    -0.057
  37. 1.912    -1.301    -0.271    0.985    0.014    -0.052
  38. 2.011    -1.47    -0.409    0.848    0.022    -0.045
  39. 2.11    -1.638    -0.535    0.683    0.028    -0.036
  40. 2.209    -1.807    -0.662    0.517    0.035    -0.027
  41. 2.309    -1.976    -0.802    0.362    0.043    -0.019
  42. 2.408    -2.145    -0.937    0.205    0.05    -0.011
  43. 2.508    -2.314    -1.034    0.042    0.055    -0.002
  44. 2.608    -2.483    -1.076    -0.124    0.057    0.007
  45. 2.707    -2.652    -1.058    -0.283    0.056    0.015
  46. 2.807    -2.821    -0.979    -0.425    0.052    0.023
  47. 2.907    -2.99    -0.845    -0.544    0.045    0.029
  48. 3.006    -3.159    -0.669    -0.636    0.035    0.034
  49. 3.106    -3.328    -0.474    -0.712    0.025    0.038
  50. 3.206    -3.497    -0.283    -0.794    0.015    0.042
  51. 3.305    -3.666    -0.097    -0.89    0.005    0.047
  52. 3.405    -3.835    0.089    -0.973    -0.005    0.052
  53. 3.505    -4.004    0.271    -1.013    -0.014    0.054
  54. 3.604    -4.173    0.438    -0.997    -0.023    0.053
  55. 3.704    -4.342    0.58    -0.925    -0.031    0.049
  56. 3.804    -4.511    0.689    -0.8    -0.037    0.042
  57. 3.904    -4.68    0.759    -0.631    -0.04    0.033
  58. 4.003    -4.85    0.796    -0.433    -0.042    0.023
  59. 4.103    -5.019    0.816    -0.224    -0.043    0.012
  60. 4.203    -5.188    0.85    -0.019    -0.045    0.001
  61. 4.303    -5.357    0.894    0.186    -0.047    -0.01
  62. 4.402    -5.526    0.917    0.385    -0.049    -0.02
  63. 4.502    -5.695    0.897    0.565    -0.048    -0.03
  64. 4.602    -5.864    0.828    0.714    -0.044    -0.038
  65. 4.702    -6.033    0.711    0.823    -0.038    -0.044
  66. 4.801    -6.202    0.554    0.884    -0.029    -0.047
  67. 4.901    -6.372    0.366    0.898    -0.019    -0.048
  68. 5.001    -6.541    0.163    0.874    -0.009    -0.046
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