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Text File  |  1996-09-01  |  2.6 KB  |  150 lines
  1. "3  6    10.00   66.18300   33.81700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 1                    
  7. 26                    
  8. 6.983    0    1.247    0.22    -0.066    -0.012
  9. 6.811    0    1.324    0.233    -0.07    -0.012
  10. 6.639    0    1.345    0.237    -0.071    -0.013
  11. 6.468    0    1.31    0.231    -0.069    -0.012
  12. 6.296    0    1.217    0.215    -0.065    -0.011
  13. 6.124    0    1.062    0.187    -0.056    -0.01
  14. 5.952    0    0.851    0.15    -0.045    -0.008
  15. 5.781    0    0.662    0.117    -0.035    -0.006
  16. 5.609    0    0.686    0.121    -0.036    -0.006
  17. 5.437    0    0.893    0.157    -0.047    -0.008
  18. 5.266    0    1.095    0.193    -0.058    -0.01
  19. 5.094    0    1.238    0.218    -0.066    -0.012
  20. 4.922    0    1.32    0.233    -0.07    -0.012
  21. 4.751    0    1.345    0.237    -0.071    -0.013
  22. 4.579    0    1.314    0.232    -0.07    -0.012
  23. 4.408    0    1.226    0.216    -0.065    -0.011
  24. 4.236    0    1.076    0.19    -0.057    -0.01
  25. 4.065    0    0.868    0.153    -0.046    -0.008
  26. 3.894    0    0.67    0.119    -0.036    -0.006
  27. 3.723    0    0.676    0.12    -0.036    -0.006
  28. 3.552    0    0.876    0.156    -0.046    -0.008
  29. 3.382    0    1.082    0.192    -0.057    -0.01
  30. 3.212    0    1.229    0.219    -0.065    -0.012
  31. 3.042    -0.001    1.316    0.235    -0.07    -0.012
  32. 2.871    0    1.35    0.241    -0.072    -0.013
  33. 2.693    0.001    1.344    0.237    -0.071    -0.013
  34. 2.504    0.005    1.31    0.224    -0.07    -0.012
  35. 2.297    0.012    1.26    0.202    -0.067    -0.011
  36. 2.073    0.024    1.202    0.172    -0.064    -0.009
  37. 1.846    0.037    1.137    0.138    -0.06    -0.007
  38. 1.658    0.047    1.042    0.107    -0.055    -0.006
  39. 1.565    0.05    0.888    0.083    -0.047    -0.004
  40. 1.568    0.05    0.712    0.067    -0.038    -0.004
  41. 1.639    0.05    0.665    0.067    -0.035    -0.004
  42. 1.757    0.05    0.815    0.091    -0.043    -0.005
  43. 1.913    0.049    1.006    0.123    -0.053    -0.007
  44. 2.086    0.048    1.174    0.153    -0.062    -0.008
  45. 2.254    0.048    1.33    0.179    -0.071    -0.009
  46. 2.401    0.053    1.497    0.2    -0.079    -0.011
  47. 2.518    0.062    1.687    0.215    -0.09    -0.011
  48. 2.613    0.076    1.898    0.226    -0.101    -0.012
  49. 2.714    0.088    2.103    0.239    -0.112    -0.013
  50. 2.866    0.087    2.263    0.264    -0.12    -0.014
  51. 3.068    0.073    2.378    0.301    -0.126    -0.016
  52. 3.277    0.055    2.487    0.341    -0.132    -0.018
  53. 3.463    0.047    2.617    0.372    -0.139    -0.02
  54. 3.616    0.051    2.777    0.393    -0.147    -0.021
  55. 3.735    0.069    2.968    0.4    -0.157    -0.021
  56. 3.833    0.096    3.178    0.4    -0.169    -0.021
  57. 3.939    0.119    3.381    0.403    -0.179    -0.021
  58. 4.092    0.118    3.541    0.428    -0.188    -0.023
  59. 4.289    0.092    3.661    0.476    -0.194    -0.025
  60. 4.49    0.065    3.778    0.525    -0.2    -0.028
  61. 4.669    0.052    3.915    0.561    -0.208    -0.03
  62. 4.817    0.059    4.079    0.578    -0.216    -0.031
  63. 4.937    0.086    4.27    0.578    -0.227    -0.031
  64. 5.038    0.127    4.477    0.565    -0.237    -0.03
  65. 5.15    0.159    4.674    0.56    -0.248    -0.03
  66. 5.304    0.156    4.834    0.587    -0.256    -0.031
  67. 5.493    0.121    4.962    0.643    -0.263    -0.034
  68. 5.683    0.085    5.089    0.699    -0.27    -0.037
  69. 5.854    0.07    5.233    0.737    -0.278    -0.039
  70. 5.999    0.081    5.4    0.751    -0.286    -0.04
  71. 6.122    0.118    5.588    0.741    -0.296    -0.039
  72. 6.23    0.171    5.788    0.718    -0.307    -0.038
  73. 6.35    0.211    5.979    0.706    -0.317    -0.037
  74. 6.503    0.204    6.139    0.736    -0.326    -0.039
  75. 6.681    0.162    6.276    0.798    -0.333    -0.042
  76. 6.859    0.121    6.415    0.859    -0.34    -0.046
  77. 7.021    0.106    6.566    0.897    -0.348    -0.048
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