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Text File  |  1996-09-01  |  3.0 KB  |  150 lines
  1. "5  6    20.00   66.18300   33.81700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 1                    
  7. 26                    
  8. 6.983    0    1.19    0.433    -0.063    -0.023
  9. 6.811    0    1.263    0.46    -0.067    -0.024
  10. 6.639    0    1.283    0.467    -0.068    -0.025
  11. 6.468    0    1.25    0.455    -0.066    -0.024
  12. 6.296    0    1.161    0.423    -0.062    -0.022
  13. 6.124    0    1.013    0.369    -0.054    -0.02
  14. 5.952    0    0.812    0.296    -0.043    -0.016
  15. 5.781    0    0.632    0.23    -0.034    -0.012
  16. 5.609    0    0.655    0.238    -0.035    -0.013
  17. 5.437    0    0.852    0.31    -0.045    -0.016
  18. 5.266    0    1.045    0.38    -0.055    -0.02
  19. 5.094    0    1.182    0.43    -0.063    -0.023
  20. 4.922    0    1.26    0.459    -0.067    -0.024
  21. 4.751    0    1.283    0.467    -0.068    -0.025
  22. 4.579    0    1.254    0.457    -0.067    -0.024
  23. 4.408    0    1.17    0.426    -0.062    -0.023
  24. 4.236    0    1.026    0.374    -0.054    -0.02
  25. 4.065    0    0.828    0.302    -0.044    -0.016
  26. 3.894    0    0.64    0.234    -0.034    -0.012
  27. 3.723    0    0.644    0.236    -0.034    -0.013
  28. 3.552    0    0.835    0.306    -0.044    -0.016
  29. 3.381    0    1.032    0.378    -0.055    -0.02
  30. 3.211    -0.001    1.172    0.431    -0.062    -0.023
  31. 3.041    -0.001    1.254    0.461    -0.067    -0.024
  32. 2.871    -0.001    1.284    0.473    -0.068    -0.025
  33. 2.698    0    1.27    0.465    -0.067    -0.025
  34. 2.52    0.004    1.216    0.439    -0.064    -0.023
  35. 2.335    0.01    1.123    0.394    -0.06    -0.021
  36. 2.147    0.018    0.989    0.33    -0.052    -0.017
  37. 1.966    0.026    0.813    0.252    -0.043    -0.013
  38. 1.8    0.032    0.659    0.186    -0.035    -0.01
  39. 1.66    0.036    0.681    0.175    -0.036    -0.009
  40. 1.564    0.036    0.851    0.214    -0.045    -0.011
  41. 1.547    0.021    1.013    0.277    -0.054    -0.015
  42. 1.635    -0.032    1.118    0.379    -0.059    -0.02
  43. 1.776    -0.112    1.193    0.506    -0.063    -0.027
  44. 1.92    -0.182    1.272    0.621    -0.067    -0.033
  45. 2.05    -0.225    1.362    0.707    -0.072    -0.038
  46. 2.163    -0.237    1.465    0.76    -0.078    -0.04
  47. 2.256    -0.216    1.583    0.78    -0.084    -0.041
  48. 2.328    -0.16    1.721    0.767    -0.091    -0.041
  49. 2.376    -0.066    1.881    0.72    -0.1    -0.038
  50. 2.406    0.057    2.057    0.646    -0.109    -0.034
  51. 2.454    0.15    2.219    0.599    -0.118    -0.032
  52. 2.568    0.116    2.322    0.667    -0.123    -0.035
  53. 2.714    0.012    2.396    0.799    -0.127    -0.042
  54. 2.853    -0.072    2.477    0.913    -0.131    -0.048
  55. 2.976    -0.115    2.572    0.99    -0.136    -0.053
  56. 3.084    -0.115    2.682    1.028    -0.142    -0.055
  57. 3.177    -0.073    2.805    1.027    -0.149    -0.055
  58. 3.255    0.012    2.941    0.988    -0.156    -0.052
  59. 3.32    0.139    3.089    0.911    -0.164    -0.048
  60. 3.381    0.276    3.241    0.826    -0.172    -0.044
  61. 3.467    0.315    3.371    0.828    -0.179    -0.044
  62. 3.577    0.225    3.478    0.948    -0.185    -0.05
  63. 3.69    0.12    3.583    1.08    -0.19    -0.057
  64. 3.799    0.054    3.692    1.178    -0.196    -0.062
  65. 3.904    0.033    3.805    1.235    -0.202    -0.065
  66. 4.005    0.058    3.921    1.251    -0.208    -0.066
  67. 4.102    0.127    4.04    1.226    -0.214    -0.065
  68. 4.197    0.242    4.161    1.16    -0.221    -0.062
  69. 4.291    0.39    4.284    1.064    -0.227    -0.056
  70. 4.384    0.499    4.407    1.003    -0.234    -0.053
  71. 4.471    0.464    4.536    1.073    -0.241    -0.057
  72. 4.551    0.356    4.671    1.208    -0.248    -0.064
  73. 4.634    0.273    4.803    1.322    -0.255    -0.07
  74. 4.725    0.233    4.928    1.395    -0.261    -0.074
  75. 4.823    0.238    5.047    1.429    -0.268    -0.076
  76. 4.93    0.287    5.157    1.422    -0.274    -0.075
  77. 5.045    0.382    5.26    1.375    -0.279    -0.073
  78. 5.17    0.518    5.355    1.29    -0.284    -0.068
  79. 5.296    0.661    5.448    1.198    -0.289    -0.064
  80. 5.392    0.702    5.569    1.199    -0.295    -0.064
  81. 5.446    0.623    5.727    1.309    -0.304    -0.069
  82. 5.497    0.533    5.889    1.427    -0.312    -0.076
  83. 5.564    0.481    6.035    1.513    -0.32    -0.08
  84. 5.65    0.47    6.165    1.561    -0.327    -0.083
  85. 5.755    0.499    6.278    1.572    -0.333    -0.083
  86. 5.879    0.569    6.372    1.547    -0.338    -0.082
  87. 6.025    0.68    6.448    1.484    -0.342    -0.079
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