23
4-NO2PhN2~OTf_UB3LYP-aug-cc-pVDZ-Opt
 C        -2.077349540557     -0.181110239314     -6.551568353224
 C        -1.237225343876      0.913891473878     -6.739748240418
 C        -1.053383174505      1.768305178999     -5.646143648110
 C        -1.635917104285      1.585956934463     -4.383507079083
 C        -2.468309850972      0.486846414914     -4.219123612724
 C        -2.674483911970     -0.368534162519     -5.305745501254
 H        -2.259666987204     -0.891566658199     -7.353395497536
 H        -0.699508323458      1.086749284431     -7.667406034329
 H        -1.419876658061      2.267981079120     -3.564978209784
 H        -2.947717213989      0.278700007334     -3.266441088558
 N        -3.573134899246     -1.539573165708     -5.119310556647
 O        -4.074815746869     -1.688211863394     -4.011536551877
 O        -3.751633300757     -2.268224707620     -6.086736215506
 N        -0.277119313789      2.917510189541     -5.835824140122
 N         0.175783999606      3.913249550487     -6.020550620294
 S         2.390321256034      1.190092989453     -5.908538244523
 C         2.370824923885     -0.695685434811     -5.708373707645
 O         1.635739226704      1.410688611495     -7.200048847231
 O         3.826121607559      1.556617185977     -5.899090297835
 O         1.576592135951      1.659672342180     -4.712111375689
 F         1.090098805061     -1.149261720819     -5.680645703243
 F         2.998732165279     -1.290470932335     -6.733415859509
 F         2.965027249459     -1.062522357553     -4.563680614858
