35
4-MeOPhN2~OTs_UB3LYP-aug-cc-pVDZ-Opt
 C         3.030159856987      0.466584169514      1.382455922257
 C         1.991751734813     -0.066876605930      0.641063376959
 C         2.328952534332     -0.762960512191     -0.536416457781
 C         3.661614690956     -0.928924786673     -0.971603050214
 C         4.684100656749     -0.385450073025     -0.213536058551
 C         4.371674354550      0.318571908120      0.973642166299
 H         2.815940669445      1.008249068738      2.302164739597
 H         0.949186093516      0.043857032958      0.965259713608
 H         3.878670373367     -1.475953723322     -1.887552198062
 H         5.711213217834     -0.510959723499     -0.543900464405
 N         1.365260468181     -1.339188390311     -1.346962035517
 N         0.792139254851     -1.876398536001     -2.138980965354
 C        -2.710842417962      1.976834694627      0.293678874792
 C        -3.724028159354      2.805629985089     -0.191435694811
 C        -4.950098449072      2.276134720880     -0.628585509117
 C        -5.134472189363      0.887913577939     -0.560615541038
 C        -4.128991312076      0.045175188552     -0.075310722457
 C        -2.919703868274      0.596687751009      0.345695191645
 H        -1.769963380128      2.392160307843      0.650924112921
 H        -3.562463958375      3.885167332442     -0.223493733114
 H        -6.082523444318      0.455291510441     -0.885022389685
 H        -4.282581103904     -1.030459135695     -0.004608388455
 S        -1.600347473146     -0.503512235119      0.937611735182
 O        -0.753667044118      0.322610028867      1.885900577698
 O        -0.778694310305     -0.843874066582     -0.319073050109
 O        -2.276043793750     -1.696882206598      1.531112918907
 C        -6.039450023566      3.187269876431     -1.144517243685
 H        -6.360336104877      3.901133475204     -0.371150667170
 H        -5.691292759198      3.777022164676     -2.005610447200
 H        -6.920921305943      2.615373391543     -1.461020487713
 O         5.291400300515      0.879385925578      1.775158811090
 C         6.681680991932      0.771464044384      1.441417542328
 H         6.890029387179      1.254125696828      0.476317965150
 H         7.211724823268      1.297887676207      2.239004279807
 H         6.996721689256     -0.281109532927      1.418797176199
