31
PhN2~OTs_TS1_UB3LYP-aug-cc-pVDZ-OptTS
 C         0.895995020465      1.244706177131     -0.905324628938
 C         1.166985560385      1.629915646516     -2.254096992416
 C         0.089610347209      1.410537968879     -2.968003146473
 C        -1.178508759949      0.936240090692     -2.838866844476
 C        -1.379151795837      0.571146453809     -1.488089607038
 C        -0.352874923773      0.727433764189     -0.544268015076
 H         1.693093421023      1.361603841555     -0.169962347100
 H         2.272262691095      2.062317049615     -2.601137703576
 H        -1.932087633412      0.840188063277     -3.613763122709
 H        -2.350703807444      0.166545331406     -1.203266764536
 N         0.293163742118      2.009460331300     -5.040837664131
 N         0.211330508200      2.357130346381     -6.084055118785
 C         6.623922650131      2.439674901875     -4.304832570648
 C         7.913721504392      1.919544697050     -4.196406531066
 C         8.135061962149      0.535006908701     -4.095079627041
 C         7.023313485535     -0.319089466752     -4.108810593313
 C         5.722852459780      0.185149787439     -4.214617043119
 C         5.536430151288      1.562752107407     -4.310160048879
 H         6.455729903951      3.511037143116     -4.400823540055
 H         8.765456808744      2.602222215007     -4.196201843807
 H         7.173180468927     -1.397835400511     -4.041512642114
 H         4.861789120869     -0.480319670751     -4.240857016308
 S         3.861870126955      2.238543511864     -4.424582277835
 O         2.962355196926      1.142135161756     -4.928580926079
 O         3.934814147174      3.482246773956     -5.243368980235
 O         3.500190059610      2.566448108034     -2.931980360676
 C         9.539634179926     -0.009374434268     -3.984622775874
 H         9.538871775529     -1.103434160400     -3.901956839835
 H        10.140713740121      0.263274178020     -4.864689867326
 H        10.054447973403      0.397564145890     -3.101817267270
 H        -0.533870085491      0.437908427816      0.490892706734
