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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "8  6    35.00   66.18300   33.81700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 2                    
  7. 26                    
  8. 6.983    0    1.037    0.726    -0.055    -0.039
  9. 6.811    0    1.101    0.771    -0.058    -0.041
  10. 6.639    0    1.118    0.783    -0.059    -0.042
  11. 6.468    0    1.089    0.763    -0.058    -0.04
  12. 6.296    0    1.012    0.709    -0.054    -0.038
  13. 6.124    0    0.883    0.619    -0.047    -0.033
  14. 5.952    0    0.708    0.496    -0.038    -0.026
  15. 5.781    0    0.551    0.386    -0.029    -0.02
  16. 5.609    0    0.571    0.4    -0.03    -0.021
  17. 5.437    0    0.742    0.52    -0.039    -0.028
  18. 5.266    0    0.911    0.638    -0.048    -0.034
  19. 5.094    0    1.03    0.721    -0.055    -0.038
  20. 4.922    0    1.098    0.769    -0.058    -0.041
  21. 4.75    0    1.119    0.783    -0.059    -0.042
  22. 4.579    0    1.093    0.766    -0.058    -0.041
  23. 4.407    0    1.02    0.714    -0.054    -0.038
  24. 4.236    0    0.895    0.627    -0.047    -0.033
  25. 4.064    0    0.722    0.506    -0.038    -0.027
  26. 3.893    0    0.558    0.391    -0.03    -0.021
  27. 3.722    0    0.561    0.394    -0.03    -0.021
  28. 3.551    0    0.727    0.512    -0.039    -0.027
  29. 3.38    -0.001    0.898    0.633    -0.048    -0.034
  30. 3.209    -0.001    1.02    0.72    -0.054    -0.038
  31. 3.039    -0.001    1.091    0.771    -0.058    -0.041
  32. 2.87    -0.002    1.115    0.789    -0.059    -0.042
  33. 2.7    -0.002    1.094    0.775    -0.058    -0.041
  34. 2.531    -0.001    1.029    0.728    -0.055    -0.039
  35. 2.362    -0.001    0.916    0.647    -0.049    -0.034
  36. 2.196    -0.001    0.753    0.532    -0.04    -0.028
  37. 2.036    -0.002    0.579    0.412    -0.031    -0.022
  38. 1.884    -0.005    0.536    0.391    -0.028    -0.021
  39. 1.745    -0.01    0.671    0.508    -0.036    -0.027
  40. 1.626    -0.021    0.83    0.654    -0.044    -0.035
  41. 1.53    -0.032    0.958    0.778    -0.051    -0.041
  42. 1.447    -0.024    1.084    0.872    -0.058    -0.046
  43. 1.365    0.021    1.23    0.938    -0.065    -0.05
  44. 1.278    0.101    1.393    0.981    -0.074    -0.052
  45. 1.187    0.203    1.563    1.011    -0.083    -0.054
  46. 1.085    0.317    1.735    1.032    -0.092    -0.055
  47. 0.963    0.431    1.904    1.047    -0.101    -0.056
  48. 0.804    0.529    2.07    1.061    -0.11    -0.056
  49. 0.601    0.6    2.237    1.074    -0.119    -0.057
  50. 0.377    0.654    2.406    1.087    -0.128    -0.058
  51. 0.166    0.733    2.577    1.103    -0.137    -0.058
  52. -0.027    0.854    2.749    1.12    -0.146    -0.059
  53. -0.219    0.974    2.922    1.137    -0.155    -0.06
  54. -0.408    1.048    3.095    1.152    -0.164    -0.061
  55. -0.582    1.06    3.269    1.164    -0.173    -0.062
  56. -0.734    1.009    3.444    1.173    -0.183    -0.062
  57. -0.855    0.898    3.62    1.18    -0.192    -0.063
  58. -0.938    0.732    3.798    1.183    -0.201    -0.063
  59. -0.984    0.525    3.978    1.185    -0.211    -0.063
  60. -1.01    0.302    4.159    1.186    -0.221    -0.063
  61. -1.065    0.089    4.339    1.187    -0.23    -0.063
  62. -1.164    -0.114    4.517    1.189    -0.24    -0.063
  63. -1.259    -0.315    4.694    1.191    -0.249    -0.063
  64. -1.309    -0.504    4.874    1.193    -0.259    -0.063
  65. -1.3    -0.668    5.057    1.197    -0.268    -0.063
  66. -1.232    -0.798    5.242    1.202    -0.278    -0.064
  67. -1.111    -0.887    5.43    1.209    -0.288    -0.064
  68. -0.943    -0.929    5.621    1.219    -0.298    -0.065
  69. -0.742    -0.927    5.813    1.231    -0.308    -0.065
  70. -0.53    -0.906    6.005    1.243    -0.319    -0.066
  71. -0.323    -0.917    6.197    1.254    -0.329    -0.067
  72. -0.118    -0.971    6.389    1.263    -0.339    -0.067
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