home *** CD-ROM | disk | FTP | other *** search
/ Great Canadian Scientists / GCS_CD.iso / mac / PC / GCSData / atomdata.cxt / 00036_3-25.txt < prev    next >
Encoding:
Text File  |  1996-09-01  |  2.6 KB  |  150 lines
  1. "6  3    25.00   38.23300   61.76700  [itraj,v,angle,Evib,Etrans]"                    
  2.  
  3.  
  4.  
  5.  
  6. 0                    
  7. 24                    
  8. 6.977    0    1.014    0.473    -0.054    -0.025
  9. 6.745    0    1.069    0.498    -0.057    -0.026
  10. 6.513    0    1.065    0.497    -0.057    -0.026
  11. 6.28    0    1.003    0.467    -0.053    -0.025
  12. 6.048    0    0.884    0.412    -0.047    -0.022
  13. 5.816    0    0.73    0.341    -0.039    -0.018
  14. 5.584    0    0.629    0.293    -0.033    -0.016
  15. 5.352    0    0.687    0.32    -0.036    -0.017
  16. 5.12    0    0.837    0.39    -0.044    -0.021
  17. 4.888    0    0.971    0.453    -0.052    -0.024
  18. 4.656    0    1.052    0.491    -0.056    -0.026
  19. 4.424    0    1.074    0.501    -0.057    -0.027
  20. 4.192    0    1.037    0.484    -0.055    -0.026
  21. 3.96    0    0.942    0.44    -0.05    -0.023
  22. 3.729    0    0.799    0.373    -0.042    -0.02
  23. 3.497    0    0.658    0.308    -0.035    -0.016
  24. 3.266    0    0.641    0.3    -0.034    -0.016
  25. 3.035    0    0.767    0.36    -0.041    -0.019
  26. 2.805    -0.001    0.916    0.431    -0.049    -0.023
  27. 2.577    -0.001    1.021    0.482    -0.054    -0.026
  28. 2.35    -0.002    1.07    0.507    -0.057    -0.027
  29. 2.122    -0.001    1.071    0.506    -0.057    -0.027
  30. 1.893    0.004    1.039    0.482    -0.055    -0.026
  31. 1.667    0.013    0.986    0.442    -0.052    -0.023
  32. 1.472    0.016    0.913    0.403    -0.048    -0.021
  33. 1.352    -0.011    0.811    0.394    -0.043    -0.021
  34. 1.333    -0.078    0.685    0.435    -0.036    -0.023
  35. 1.395    -0.18    0.569    0.537    -0.03    -0.028
  36. 1.502    -0.303    0.484    0.7    -0.026    -0.037
  37. 1.626    -0.436    0.401    0.881    -0.021    -0.047
  38. 1.757    -0.574    0.299    1.031    -0.016    -0.055
  39. 1.891    -0.714    0.18    1.125    -0.01    -0.06
  40. 2.025    -0.854    0.05    1.157    -0.003    -0.061
  41. 2.159    -0.995    -0.082    1.126    0.004    -0.06
  42. 2.294    -1.135    -0.211    1.03    0.011    -0.055
  43. 2.428    -1.276    -0.328    0.879    0.017    -0.047
  44. 2.563    -1.417    -0.436    0.701    0.023    -0.037
  45. 2.699    -1.559    -0.563    0.547    0.03    -0.029
  46. 2.834    -1.7    -0.733    0.436    0.039    -0.023
  47. 2.969    -1.841    -0.912    0.334    0.048    -0.018
  48. 3.105    -1.982    -1.054    0.218    0.056    -0.012
  49. 3.24    -2.123    -1.138    0.091    0.06    -0.005
  50. 3.375    -2.265    -1.157    -0.041    0.061    0.002
  51. 3.511    -2.406    -1.111    -0.172    0.059    0.009
  52. 3.646    -2.547    -1.002    -0.292    0.053    0.015
  53. 3.781    -2.689    -0.84    -0.397    0.045    0.021
  54. 3.917    -2.83    -0.654    -0.493    0.035    0.026
  55. 4.052    -2.971    -0.495    -0.611    0.026    0.032
  56. 4.188    -3.112    -0.374    -0.775    0.02    0.041
  57. 4.323    -3.254    -0.259    -0.946    0.014    0.05
  58. 4.458    -3.395    -0.133    -1.075    0.007    0.057
  59. 4.594    -3.536    0    -1.144    0    0.061
  60. 4.729    -3.678    0.134    -1.149    -0.007    0.061
  61. 4.865    -3.819    0.259    -1.089    -0.014    0.058
  62. 5    -3.96    0.37    -0.968    -0.02    0.051
  63. 5.135    -4.101    0.462    -0.795    -0.025    0.042
  64. 5.271    -4.243    0.545    -0.603    -0.029    0.032
  65. 5.406    -4.384    0.655    -0.439    -0.035    0.023
  66. 5.542    -4.525    0.813    -0.309    -0.043    0.016
  67. 5.677    -4.667    0.973    -0.181    -0.052    0.01
  68. 5.813    -4.808    1.089    -0.046    -0.058    0.002
  69. 5.948    -4.949    1.143    0.092    -0.061    -0.005
  70. 6.083    -5.091    1.133    0.225    -0.06    -0.012
  71. 6.219    -5.232    1.06    0.345    -0.056    -0.018
  72. 6.354    -5.373    0.927    0.445    -0.049    -0.024
  73. 6.49    -5.514    0.745    0.523    -0.04    -0.028
  74. 6.625    -5.656    0.549    0.592    -0.029    -0.031
  75.  
  76.  
  77.  
  78.  
  79.  
  80.  
  81.  
  82.  
  83.  
  84.  
  85.  
  86.  
  87.  
  88.  
  89.  
  90.  
  91.  
  92.  
  93.  
  94.  
  95.  
  96.  
  97.  
  98.  
  99.  
  100.  
  101.  
  102.  
  103.  
  104.  
  105.  
  106.  
  107.  
  108.  
  109.  
  110.  
  111.  
  112.  
  113.  
  114.  
  115.  
  116.  
  117.  
  118.  
  119.  
  120.  
  121.  
  122.  
  123.  
  124.  
  125.  
  126.  
  127.  
  128.  
  129.  
  130.  
  131.  
  132.  
  133.  
  134.  
  135.  
  136.  
  137.  
  138.  
  139.  
  140.  
  141.  
  142.  
  143.  
  144.  
  145.  
  146.  
  147.  
  148.  
  149.  
  150.