home *** CD-ROM | disk | FTP | other *** search
/ Great Canadian Scientists / GCS_CD.iso / mac / PC / GCSData / atomdata.cxt / 00056_5-25.txt < prev    next >
Encoding:
Text File  |  1996-09-01  |  4.1 KB  |  150 lines
  1. "6  5    25.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
  2.  
  3.  
  4.  
  5.  
  6. 1                    
  7. 25                    
  8. 6.981    0    1.103    0.514    -0.059    -0.027
  9. 6.788    0    1.17    0.545    -0.062    -0.029
  10. 6.595    0    1.181    0.551    -0.063    -0.029
  11. 6.402    0    1.138    0.531    -0.06    -0.028
  12. 6.209    0    1.038    0.484    -0.055    -0.026
  13. 6.017    0    0.881    0.411    -0.047    -0.022
  14. 5.824    0    0.693    0.323    -0.037    -0.017
  15. 5.631    0    0.599    0.279    -0.032    -0.015
  16. 5.438    0    0.712    0.332    -0.038    -0.018
  17. 5.245    0    0.9    0.42    -0.048    -0.022
  18. 5.052    0    1.051    0.49    -0.056    -0.026
  19. 4.86    0    1.145    0.534    -0.061    -0.028
  20. 4.667    0    1.182    0.551    -0.063    -0.029
  21. 4.474    0    1.165    0.543    -0.062    -0.029
  22. 4.282    0    1.092    0.51    -0.058    -0.027
  23. 4.089    0    0.961    0.449    -0.051    -0.024
  24. 3.897    0    0.78    0.364    -0.041    -0.019
  25. 3.704    0    0.618    0.289    -0.033    -0.015
  26. 3.512    0    0.637    0.298    -0.034    -0.016
  27. 3.32    0    0.811    0.381    -0.043    -0.02
  28. 3.129    -0.001    0.985    0.463    -0.052    -0.025
  29. 2.938    -0.001    1.106    0.521    -0.059    -0.028
  30. 2.748    -0.001    1.169    0.552    -0.062    -0.029
  31. 2.557    -0.001    1.183    0.558    -0.063    -0.03
  32. 2.363    0.002    1.154    0.54    -0.061    -0.029
  33. 2.163    0.008    1.091    0.497    -0.058    -0.026
  34. 1.959    0.019    0.994    0.433    -0.053    -0.023
  35. 1.763    0.031    0.863    0.352    -0.046    -0.019
  36. 1.595    0.038    0.715    0.273    -0.038    -0.014
  37. 1.48    0.037    0.637    0.24    -0.034    -0.013
  38. 1.438    0.024    0.709    0.292    -0.038    -0.015
  39. 1.481    -0.009    0.837    0.404    -0.044    -0.021
  40. 1.59    -0.061    0.947    0.539    -0.05    -0.029
  41. 1.726    -0.115    1.039    0.664    -0.055    -0.035
  42. 1.866    -0.155    1.117    0.761    -0.059    -0.04
  43. 2.003    -0.177    1.186    0.824    -0.063    -0.044
  44. 2.132    -0.181    1.247    0.855    -0.066    -0.045
  45. 2.252    -0.167    1.303    0.856    -0.069    -0.045
  46. 2.36    -0.135    1.356    0.828    -0.072    -0.044
  47. 2.451    -0.085    1.41    0.774    -0.075    -0.041
  48. 2.522    -0.016    1.473    0.696    -0.078    -0.037
  49. 2.566    0.073    1.553    0.595    -0.082    -0.032
  50. 2.574    0.181    1.661    0.475    -0.088    -0.025
  51. 2.548    0.301    1.799    0.343    -0.095    -0.018
  52. 2.523    0.423    1.936    0.209    -0.103    -0.011
  53. 2.543    0.563    2.035    0.06    -0.108    -0.003
  54. 2.574    0.708    2.123    -0.094    -0.113    0.005
  55. 2.589    0.823    2.227    -0.22    -0.118    0.012
  56. 2.589    0.895    2.345    -0.308    -0.124    0.016
  57. 2.581    0.924    2.471    -0.356    -0.131    0.019
  58. 2.569    0.91    2.6    -0.367    -0.138    0.019
  59. 2.558    0.855    2.728    -0.339    -0.145    0.018
  60. 2.554    0.755    2.851    -0.271    -0.151    0.014
  61. 2.562    0.612    2.962    -0.165    -0.157    0.009
  62. 2.583    0.444    3.063    -0.035    -0.162    0.002
  63. 2.583    0.29    3.183    0.082    -0.169    -0.004
  64. 2.544    0.153    3.338    0.184    -0.177    -0.01
  65. 2.516    0.018    3.482    0.283    -0.185    -0.015
  66. 2.53    -0.105    3.59    0.371    -0.19    -0.02
  67. 2.585    -0.209    3.66    0.444    -0.194    -0.024
  68. 2.676    -0.292    3.697    0.496    -0.196    -0.026
  69. 2.801    -0.348    3.704    0.525    -0.196    -0.028
  70. 2.958    -0.375    3.683    0.526    -0.195    -0.028
  71. 3.142    -0.366    3.636    0.496    -0.193    -0.026
  72. 3.348    -0.321    3.57    0.433    -0.189    -0.023
  73. 3.558    -0.267    3.5    0.362    -0.186    -0.019
  74. 3.776    -0.257    3.424    0.33    -0.182    -0.018
  75. 4.001    -0.268    3.34    0.318    -0.177    -0.017
  76. 4.203    -0.261    3.278    0.288    -0.174    -0.015
  77. 4.366    -0.23    3.25    0.238    -0.172    -0.013
  78. 4.489    -0.182    3.26    0.172    -0.173    -0.009
  79. 4.571    -0.122    3.306    0.096    -0.175    -0.005
  80. 4.611    -0.054    3.391    0.012    -0.18    -0.001
  81. 4.607    0.015    3.515    -0.073    -0.186    0.004
  82. 4.557    0.081    3.68    -0.154    -0.195    0.008
  83. 4.475    0.138    3.874    -0.229    -0.206    0.012
  84. 4.404    0.208    4.059    -0.314    -0.215    0.017
  85. 4.36    0.315    4.219    -0.433    -0.224    0.023
  86. 4.319    0.418    4.377    -0.549    -0.232    0.029
  87. 4.28    0.482    4.533    -0.63    -0.24    0.033
  88. 4.251    0.502    4.679    -0.669    -0.248    0.036
  89. 4.237    0.48    4.812    -0.672    -0.255    0.036
  90. 4.241    0.421    4.929    -0.641    -0.261    0.034
  91. 4.269    0.326    5.024    -0.578    -0.266    0.031
  92. 4.327    0.196    5.092    -0.483    -0.27    0.026
  93. 4.416    0.038    5.132    -0.362    -0.272    0.019
  94. 4.52    -0.131    5.158    -0.232    -0.274    0.012
  95. 4.586    -0.298    5.219    -0.103    -0.277    0.005
  96. 4.621    -0.47    5.308    0.03    -0.282    -0.002
  97. 4.675    -0.626    5.38    0.149    -0.285    -0.008
  98. 4.758    -0.75    5.425    0.239    -0.288    -0.013
  99. 4.866    -0.837    5.448    0.295    -0.289    -0.016
  100. 4.994    -0.886    5.453    0.316    -0.289    -0.017
  101. 5.137    -0.895    5.444    0.302    -0.289    -0.016
  102. 5.291    -0.862    5.425    0.25    -0.288    -0.013
  103. 5.45    -0.784    5.402    0.157    -0.287    -0.008
  104. 5.607    -0.668    5.38    0.03    -0.285    -0.002
  105. 5.77    -0.556    5.353    -0.093    -0.284    0.005
  106. 5.965    -0.48    5.298    -0.185    -0.281    0.01
  107. 6.164    -0.41    5.238    -0.271    -0.278    0.014
  108. 6.327    -0.334    5.211    -0.361    -0.276    0.019
  109. 6.445    -0.26    5.225    -0.451    -0.277    0.024
  110. 6.519    -0.193    5.279    -0.534    -0.28    0.028
  111. 6.552    -0.136    5.369    -0.608    -0.285    0.032
  112. 6.546    -0.096    5.495    -0.667    -0.291    0.035
  113. 6.5    -0.077    5.657    -0.706    -0.3    0.037
  114. 6.419    -0.084    5.85    -0.722    -0.31    0.038
  115. 6.32    -0.109    6.06    -0.721    -0.321    0.038
  116. 6.229    -0.105    6.263    -0.747    -0.332    0.04
  117. 6.14    -0.062    6.464    -0.809    -0.343    0.043
  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.