MD JobServer / TaskServer

tertiary + HBr + SnO2                   
   1.00000000000000     
     4.7372699999999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.7372699999999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000   22.3727599999999995
   Sn   O    C    H    Br
     6    12     3     8     1
Direct
  0.5293918082060377  0.4725537434018019  0.4564493374634953
  0.5255809918975286  0.4760364731871034  0.5944648975015666
  0.0255070198389575 -0.0229118901994393  0.5235440647653427
 -0.0040169871031456  0.9656619241080704 -0.0179586710602530
  0.5000281952422717  0.4579098089846196  0.9186523049298604
  0.4806239127064945  0.4815129009515484  0.0590086298959634
  0.7289205655064175  0.6761921825868530  0.5252161539467102
  0.2361519704595114  0.7671043360157460  0.4464278358096451
  0.2343356021303795  0.7702906328915033  0.6025363900761701
  0.8163744059990740  0.1849301140851521  0.6034143395791530
  0.8217031629259379  0.1799541602737429  0.4479590730374769
  0.3237905978185521  0.2753722246959884  0.5251164763401156
  0.6927034672409633  0.2666408146105596 -0.0108185401443081
  0.2011389530353137  0.1759224670645358  0.9056009809598616
  0.2078095776569006  0.1455930397823144  0.0558141804546426
  0.2975076846909623  0.6638518170684906 -0.0143654135425752
  0.8174067509862136  0.7525454376098261  0.0559324962414407
  0.7834007275048577  0.7582521895897697  0.9056940066683080
  0.4478882911116707  0.5113413092011609  0.1597746578365547
  0.5299922763933620  0.8046317944887549  0.1797239367433811
  0.1572979768220588  0.4204782282322749  0.1796029301182651
  0.7291297840183831  0.8746827425507809  0.1599229020426680
  0.5521089814153205  0.8108888613895606  0.2291488781262697
  0.3652140418317576  0.9531714390649143  0.1666423615435476
  0.6113893139453881  0.3543169603105190  0.1704834418540270
  0.0206353431550514  0.6053976749924891  0.1853940375066524
  0.1680212745999500  0.3087211906459469  0.2229305733249208
  0.0571347382175551  0.2768926572845489  0.1471312471064977
  0.2886962536810151  0.6539346498157600  0.3366126147066485
  0.5040330980652732  0.4410568853151001  0.3265740961679619
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00