48
x2-4-NO2-Ph-N2-OTs-v1_RB3LYP-aug-cc-pVDZ-Opt
 C        -3.645997655340     -1.194435916314     -0.269181000182
 C        -3.999455219024     -0.640353490239      0.969300944674
 C        -5.241351259241     -0.839764353277      1.604664862338
 C        -6.171250388573     -1.643155607587      0.957474133496
 C        -5.827551509762     -2.204713564341     -0.275819246196
 C        -4.596060416610     -1.998632481185     -0.896571111472
 H        -2.669620591299     -0.970134789252     -0.697943031844
 H        -5.461200767984     -0.381515208305      2.566958700909
 H        -7.149589629991     -1.839460986032      1.389408051413
 H        -4.391862084966     -2.460628092670     -1.859453490858
 N        -3.083132999238      0.162673949506      1.657759536964
 N        -2.461395005343      0.796093414392      2.330428886557
 S         0.001099557382      0.980594360215      0.099351568115
 O        -0.012617596628      0.895553595559      1.624401344261
 O         1.259643042617      0.364484111341     -0.470837379542
 O        -1.269751988220      0.412882529692     -0.492683398263
 H         2.643622198363     -1.029234204531     -0.704435170657
 C         3.611632826365     -1.270935544938     -0.266903460256
 C         3.951498522760     -0.748824655180      0.989038884759
 C         4.564053110372     -2.068194607410     -0.899586640124
 C         5.182714717508     -0.973565397087      1.636782702799
 C         5.785035266646     -2.298718400156     -0.266855698791
 H         4.369777094283     -2.505983843068     -1.875733983130
 C         6.115521700148     -1.768979749135      0.983963384531
 H         5.392457722114     -0.540005623537      2.612679692191
 H         7.086042391970     -1.983256992427      1.424907668392
 N         3.032648372392      0.045119000092      1.685321504805
 N         2.414851799977      0.666294327293      2.373036787210
 N         6.794824231336     -3.154520478891     -0.958229210208
 O         6.479394777937     -3.611878303779     -2.047127076530
 O         7.857837097445     -3.331174224890     -0.379568520908
 N        -6.834508024751     -3.068689658334     -0.961198920406
 O        -6.507445156941     -3.554277756713     -2.034327708509
 O        -7.907013034135     -3.223135013955     -0.393833530645
 C         0.037760713012      2.731296284012     -0.332781793633
 C         0.042229067243      3.085396715782     -1.686825486886
 C         0.062243481236      3.703751355868      0.665462676922
 C         0.071670490962      4.434381540548     -2.032689011764
 H         0.022224569245      2.317882826135     -2.459069730813
 C         0.091633243637      5.054197477643      0.297485073719
 H         0.057601433899      3.409552187028      1.713194833449
 C         0.096937130701      5.441479644372     -1.049081638521
 H         0.074965040424      4.713498189020     -3.087389715672
 H         0.110454854625      5.817234775129      1.076475679087
 C         0.128610168060      6.896485403826     -1.447285999153
 H        -0.750975824858      7.158336370617     -2.052886284878
 H         0.144420020986      7.552874237388     -0.569156284945
 H         1.017274509257      7.119106647775     -2.055342391806
