./transitionstate2 CONTCAR output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished

No title                                
   1.00000000000000     
    15.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.0000000000000000
   N    Si   O    H 
     3     6     1    19
Direct
  0.0260936314777233  1.0363990306657385  0.5034839201997213
  0.9647054086153759  0.5762019056792910  0.7924201186138256
  0.4543729041386581  0.4522971796098830  0.4250412502065544
  0.1302457072643578  0.2821274396493211  0.9781913594311749
  0.2969506599931354  0.0918658772975965  0.4492090729013472
  0.4957401926452218  0.2380955130538930  0.8691444482049313
  0.3292206294446616 -0.0816853329413372  1.0126945418437274
  0.6694471311428273  0.0239311697304749  0.5599534501040742
 -0.0046327382850269  0.7163844258071513  0.3062196202197704
  0.1896955771990048  0.4522017498246972  0.3604223864825102
  0.0689334645282654  0.6282547586522181  0.2955056571708241
  0.5480326054218638  0.6453616753606585  0.1484237977914783
  0.3880097735125761  0.1339428515602195  0.4079133730217397
  0.7853543460866012  1.0517116895410954  0.9620913654472583
  0.1282728533896847  0.6656636034879077  0.0185975574368811
  0.3158124419911618  0.7195136292450016  0.3468604530417698
  0.2419820897644422  0.6124958796774640  0.6851828442982962
  0.6993513614542358  0.7490235674279320  0.8832860224607497
  0.9538098983234191  0.3641053394170312  0.4483386139257088
  0.8874766688443080  0.2394283245653157  0.7311006153797169
  0.7071847299513716  0.4115995297654377  0.5118165583150341
  0.7915609235146588  0.2797580068926466  0.1960012313571090
 -0.0009803991969211  0.9152866844224187  0.8281178804740251
  0.7461370001772983  0.4382891122853442  0.9203346074932433
  0.8090378918584453  0.6915209037338813  0.5668648019101454
  0.4386062235278537  0.8071259997986517  0.6639395803507899
  0.5333572514684214  0.5628280171554396  0.7430808458059877
  0.8323582240114484 -0.0692935175176631  0.2452205304700846
  0.5391557777353380  0.1563064661528131  0.2469554956415853
 
  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