33
4-NO2PhN2~OTs_TS1_UB3LYP-aug-cc-pVDZ-OptTS
 C         0.832152767406      1.228857820223     -1.898989625610
 C         0.893995493396      0.753206698203     -3.236829804114
 C        -0.049088028377      1.323066955104     -3.970853473663
 C        -1.060373983436      2.243620433625     -3.764629384292
 C        -1.087778142409      2.687147428400     -2.441628732654
 C        -0.139982196279      2.168873834019     -1.541879025020
 H         1.529405935498      0.875022868893     -1.141267975803
 H         2.055997968650     -0.346461631557     -3.726409755471
 H        -1.756735173144      2.592610526946     -4.523502917170
 H        -1.819916054982      3.415462007965     -2.104096027347
 N        -0.185774078849      2.654705641035     -0.139658688506
 O        -1.054156351984      3.473589737348      0.150963879106
 O         0.646126702618      2.210277934111      0.643500465076
 N        -0.044143250251      0.780391516808     -5.656542582438
 N         0.234303429876      0.269132355213     -6.595899739874
 C         5.208736182324      1.487884547098     -4.217618174943
 C         6.318603008722      2.021054505777     -3.554486073592
 C         7.331973321651      1.192826779841     -3.051969088274
 C         7.212467205518     -0.196768401029     -3.234041135574
 C         6.115330209402     -0.748084189876     -3.893709325727
 C         5.120471330906      0.106356274922     -4.377120719568
 H         4.429860000374      2.133191308459     -4.619072343865
 H         6.396973401458      3.102053580981     -3.432200518907
 H         7.994302212297     -0.858161148674     -2.857360837535
 H         6.033851334699     -1.822762967271     -4.046737221024
 S         3.691870549970     -0.607388599749     -5.212971202352
 O         2.989081180647      0.486277954647     -5.948274404529
 O         2.740277508764     -1.095772227159     -3.994846125894
 O         4.125311075936     -1.825775208947     -5.929713738329
 C         8.530859424839      1.768652818441     -2.337887251323
 H         8.606399939079      1.375268335912     -1.313658864936
 H         9.463746419254      1.503995153791     -2.856726764755
 H         8.474120656427      2.862357356498     -2.278212821092
