48
x2-4-NO2-Ph-N2-OTs-v2_RB3LYP-aug-cc-pVDZ-Opt
 C        -3.749195076145     -0.711797212623     -0.168636075528
 C        -4.455765662361      0.063730409755      0.764757614186
 C        -5.736667547710     -0.241617175737      1.258242575556
 C        -6.337547139033     -1.404727218495      0.793156137435
 C        -5.645843305129     -2.190123801929     -0.134193313027
 C        -4.378947898354     -1.869511551084     -0.622229789212
 H        -2.759192023860     -0.390639930380     -0.512656413154
 H        -6.232346862615      0.405873322544      1.978794690860
 H        -7.324674993304     -1.709040907797      1.132164541603
 H        -3.897808794027     -2.521370421733     -1.347381237648
 N        -3.840026348657      1.225590953414      1.228381201589
 N        -3.248849905526      2.104096968396      1.573213393902
 S        -0.300542097386      1.202726903690      0.154848781126
 O        -0.971756498366      1.183230121784      1.512635731126
 O         0.995947171851      0.378567356367      0.203605197425
 O        -1.207415596908      0.776120652276     -0.973433572118
 H         2.494272180237     -0.739603608011      1.353593552918
 C         3.398218159067     -1.285517892329      1.084377746051
 C         3.789902682651     -1.367585402421     -0.264878195015
 C         4.210623270619     -1.923658514472      2.018158896367
 C         4.933633278189     -2.043855106170     -0.716962716059
 C         5.350206326754     -2.598502693246      1.576307680961
 H         3.971726413564     -1.903483456403      3.078861093242
 C         5.729902522415     -2.672960435213      0.234023853909
 H         5.184196108958     -2.071516384537     -1.775517831317
 N         2.978836068185     -0.731374849960     -1.205702988070
 N         2.148582752627     -0.140116549410     -1.672372086594
 N        -6.301891575950     -3.437232058335     -0.628255382458
 O        -5.671861150105     -4.114063737929     -1.428496696584
 O        -7.417668173116     -3.684869177116     -0.193121165603
 C         0.197117783103      2.903917678148     -0.177849096204
 C         0.761904032222      3.659731428595      0.855334449727
 C         0.040859156280      3.433767652636     -1.458200876431
 C         1.173692725034      4.964624333643      0.590039180562
 H         0.861996845269      3.237819522483      1.854148228585
 C         0.461055986997      4.745570259636     -1.703803888652
 H        -0.412806276203      2.834226248699     -2.245112958087
 C         1.032590233739      5.529332884509     -0.691449827546
 H         1.608548850157      5.559719473869      1.394490022012
 H         0.335562776365      5.165531543660     -2.702396564200
 C         1.480162586090      6.945980435594     -0.955243102285
 H         2.548214010421      7.071370771491     -0.726300669329
 H         1.320736606007      7.228991037568     -2.002432933666
 H         0.928739439561      7.656930288021     -0.323068477079
 H         6.630312569595     -3.214433505696     -0.045121409667
 N         6.209352062243     -3.277480755641      2.591216555905
 O         5.853338015014     -3.199302749889      3.758490953102
 O         7.201676311544     -3.859065150223      2.175675187387
