33
4-NO2PhN2~OTs_UB3LYP-aug-cc-pVDZ-Opt
 C         2.743136235050      0.612720110916     -1.274457933705
 C         1.971483684957     -0.545674950465     -1.290354224206
 C         2.094738770477     -1.467619529647     -0.240904135406
 C         3.000377394614     -1.256236964453      0.806060512781
 C         3.755242063011     -0.085603012447      0.836898123869
 C         3.615409448598      0.831480883189     -0.205634935083
 H         2.673259582662      1.348591533159     -2.071347006241
 H         1.279178697689     -0.736982931910     -2.106836476638
 H         3.104112609752     -2.006016253885      1.588474347677
 H         4.453718408742      0.116841699942      1.644622569227
 N         1.412994308047     -2.724584629475     -0.271758376005
 N         0.207822839890     -2.879728713433     -0.280325740005
 C        -2.848186969341      0.330458197947      1.268679359018
 C        -3.250565019804      1.658188014549      1.397441834046
 C        -3.538176154905      2.446159783429      0.267882323732
 C        -3.415661856027      1.866527188535     -1.004200588720
 C        -3.012982946910      0.537977763159     -1.158936828301
 C        -2.733554032982     -0.210122804387     -0.015357902660
 H        -2.639532119119     -0.283666835883      2.142674586885
 H        -3.348090653527      2.090233643842      2.394293796054
 H        -3.643328862359      2.459692188392     -1.890267672284
 H        -2.931599200097      0.083389103345     -2.144452170000
 S        -2.221500046127     -1.916435801814     -0.196335051064
 O        -2.531676121472     -2.684809954202      1.025823826890
 O        -0.532627958922     -1.591710499618     -0.194485353516
 O        -2.575213309008     -2.423566282572     -1.537953707791
 C        -3.976348514716      3.880350967980      0.432717774594
 H        -4.909335708121      3.941253170210      1.011664948683
 H        -3.218529935336      4.462538609675      0.976569812296
 H        -4.145784142859      4.362459471343     -0.537405365536
 N         4.420406414777      2.067414781478     -0.182898120038
 O         4.280351027258      2.857159666606     -1.113780156329
 O         5.181762066110      2.235652386494      0.766467927776
