home *** CD-ROM | disk | FTP | other *** search
/ Great Canadian Scientists / GCS_CD.iso / mac / PC / GCSData / atomdata.cxt / 00043_4-10.txt < prev    next >
Encoding:
Text File  |  1996-09-01  |  2.9 KB  |  150 lines
  1. "3  4    10.00   48.04500   51.95500  [itraj,v,angle,Evib,Etrans]"                    
  2.  
  3.  
  4.  
  5.  
  6. 0                    
  7. 24                    
  8. 6.979    0    1.15    0.203    -0.061    -0.011
  9. 6.766    0    1.217    0.215    -0.065    -0.011
  10. 6.553    0    1.221    0.215    -0.065    -0.011
  11. 6.34    0    1.163    0.205    -0.062    -0.011
  12. 6.127    0    1.041    0.184    -0.055    -0.01
  13. 5.914    0    0.865    0.152    -0.046    -0.008
  14. 5.702    0    0.696    0.123    -0.037    -0.007
  15. 5.489    0    0.689    0.122    -0.037    -0.006
  16. 5.276    0    0.852    0.15    -0.045    -0.008
  17. 5.063    0    1.031    0.182    -0.055    -0.01
  18. 4.85    0    1.157    0.204    -0.061    -0.011
  19. 4.637    0    1.219    0.215    -0.065    -0.011
  20. 4.425    0    1.219    0.215    -0.065    -0.011
  21. 4.212    0    1.156    0.204    -0.061    -0.011
  22. 4    0    1.03    0.182    -0.055    -0.01
  23. 3.787    0    0.851    0.15    -0.045    -0.008
  24. 3.575    0    0.688    0.122    -0.036    -0.006
  25. 3.363    0    0.697    0.124    -0.037    -0.007
  26. 3.152    0    0.866    0.154    -0.046    -0.008
  27. 2.941    0    1.042    0.186    -0.055    -0.01
  28. 2.732    -0.001    1.163    0.208    -0.062    -0.011
  29. 2.522    -0.001    1.226    0.219    -0.065    -0.012
  30. 2.305    0.001    1.249    0.22    -0.066    -0.012
  31. 2.072    0.007    1.26    0.213    -0.067    -0.011
  32. 1.84    0.014    1.266    0.202    -0.067    -0.011
  33. 1.691    -0.006    1.207    0.216    -0.064    -0.011
  34. 1.668    -0.077    1.054    0.278    -0.056    -0.015
  35. 1.701    -0.17    0.862    0.358    -0.046    -0.019
  36. 1.762    -0.272    0.654    0.443    -0.035    -0.024
  37. 1.839    -0.381    0.488    0.573    -0.026    -0.03
  38. 1.923    -0.494    0.381    0.775    -0.02    -0.041
  39. 2.01    -0.608    0.28    0.986    -0.015    -0.052
  40. 2.099    -0.723    0.165    1.149    -0.009    -0.061
  41. 2.188    -0.838    0.041    1.25    -0.002    -0.066
  42. 2.278    -0.954    -0.086    1.287    0.005    -0.068
  43. 2.367    -1.07    -0.208    1.265    0.011    -0.067
  44. 2.457    -1.186    -0.321    1.182    0.017    -0.063
  45. 2.547    -1.302    -0.417    1.037    0.022    -0.055
  46. 2.637    -1.418    -0.49    0.835    0.026    -0.044
  47. 2.727    -1.534    -0.546    0.601    0.029    -0.032
  48. 2.817    -1.651    -0.634    0.397    0.034    -0.021
  49. 2.908    -1.767    -0.805    0.245    0.043    -0.013
  50. 2.998    -1.883    -0.998    0.104    0.053    -0.006
  51. 3.088    -1.999    -1.144    -0.041    0.061    0.002
  52. 3.179    -2.116    -1.227    -0.184    0.065    0.01
  53. 3.269    -2.232    -1.248    -0.318    0.066    0.017
  54. 3.359    -2.348    -1.209    -0.436    0.064    0.023
  55. 3.45    -2.465    -1.113    -0.534    0.059    0.028
  56. 3.54    -2.581    -0.959    -0.604    0.051    0.032
  57. 3.631    -2.697    -0.753    -0.641    0.04    0.034
  58. 3.721    -2.814    -0.513    -0.651    0.027    0.035
  59. 3.811    -2.93    -0.29    -0.688    0.015    0.037
  60. 3.902    -3.046    -0.106    -0.817    0.006    0.043
  61. 3.992    -3.163    0.07    -0.98    -0.004    0.052
  62. 4.083    -3.279    0.242    -1.103    -0.013    0.059
  63. 4.173    -3.395    0.4    -1.165    -0.021    0.062
  64. 4.264    -3.512    0.538    -1.166    -0.029    0.062
  65. 4.354    -3.628    0.65    -1.112    -0.034    0.059
  66. 4.445    -3.745    0.732    -1.005    -0.039    0.053
  67. 4.535    -3.861    0.776    -0.847    -0.041    0.045
  68. 4.626    -3.977    0.777    -0.642    -0.041    0.034
  69. 4.716    -4.094    0.742    -0.407    -0.039    0.022
  70. 4.807    -4.21    0.727    -0.178    -0.039    0.009
  71. 4.897    -4.326    0.807    0.029    -0.043    -0.002
  72. 4.988    -4.443    0.934    0.234    -0.05    -0.012
  73. 5.078    -4.559    1.028    0.428    -0.055    -0.023
  74. 5.169    -4.676    1.065    0.599    -0.056    -0.032
  75. 5.259    -4.792    1.046    0.739    -0.055    -0.039
  76. 5.349    -4.908    0.977    0.843    -0.052    -0.045
  77. 5.44    -5.025    0.861    0.907    -0.046    -0.048
  78. 5.53    -5.141    0.703    0.926    -0.037    -0.049
  79. 5.621    -5.258    0.506    0.894    -0.027    -0.047
  80. 5.711    -5.374    0.283    0.817    -0.015    -0.043
  81. 5.802    -5.49    0.06    0.751    -0.003    -0.04
  82. 5.892    -5.607    -0.158    0.777    0.008    -0.041
  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.