34
x2-4-Br-Ph-N2-OTf-v1_RB3LYP-aug-cc-pVDZ-Opt
 C        -4.191277643672     -0.274610659622     -0.134998794412
 C        -4.433891245686      1.058415795470      0.244676648850
 C        -5.709479738408      1.555305183215      0.586937762554
 C        -6.777064143001      0.672946609951      0.549991885486
 C        -6.557617687299     -0.666233932667      0.176015517789
 C        -5.279430303692     -1.137365612543     -0.164643026703
 H        -3.180130453618     -0.582980647085     -0.402075208567
 H        -5.847686369098      2.596796287586      0.871948925437
 H        -7.776964809593      1.015367130117      0.807684783458
 H        -5.136841754704     -2.175983019136     -0.455507004997
 N        -3.377453403140      1.952234527718      0.292828973054
 N        -2.569323499116      2.716035757652      0.361905175196
 S        -0.048481816556      0.542302832693     -0.358110552604
 O        -0.193130360803      1.496086965437      0.801942209935
 O         0.957883173311     -0.547586012410     -0.124075537089
 O        -1.354089501786      0.115340580266     -0.961685319852
 C         0.747894645784      1.599691645918     -1.712232470702
 F         1.947742761961      2.051743329281     -1.280185793498
 F        -0.026736808507      2.656468757434     -2.000704846108
 F         0.941537457472      0.881676000668     -2.825222893340
 H         2.983635908720     -0.710950487411     -0.326408459113
 C         3.938839767097     -0.549791163786      0.173249994851
 C         3.971518009904      0.126737356262      1.406434044077
 C         5.149731291169     -0.987460495256     -0.347258225870
 C         5.157034348047      0.377612467336      2.130063312981
 C         6.342304854133     -0.746608767057      0.353857465261
 H         5.169216205572     -1.515784597413     -1.298089915332
 C         6.351185348046     -0.067817135214      1.587085803627
 H         5.132054520262      0.905031027321      3.082013747211
 H         7.287831261246      0.106743420428      2.112141267175
 N         2.788576752892      0.579493411700      1.966105328579
 N         1.881247751852      0.973710147573      2.479138357764
 Br        7.978598896313     -1.347831283463     -0.370808409375
 Br       -8.023833415099     -1.855035420963      0.130185254276
