24
2-HOOCPhN2~OTf_UB3LYP-aug-cc-pVDZ-Opt
 C         1.353896858488      1.475137328198     -0.430268212663
 C         1.908115263171      0.198325830121     -0.287762138944
 C         3.277612347516     -0.040337846509     -0.035418889563
 C         4.101005075920      1.078742942909      0.092195493681
 C         3.574928013302      2.371129535581     -0.040393482017
 C         2.217340385978      2.566566964532     -0.302016001151
 H         0.281269711663      1.573276880529     -0.632620932952
 H         5.159009876744      0.932942184836      0.296102825333
 H         4.237418139432      3.230145026958      0.062934496750
 H         1.811830982836      3.572447922727     -0.403076024363
 N         1.016815655506     -0.872551987187     -0.415722439784
 N         0.125855196719     -1.540744620311     -0.444726175194
 S        -2.179725601207      0.543958895859      0.358028415749
 O        -1.330032062767     -0.451481802011      1.130036626503
 O        -2.708501418785      1.679373704232      1.158040306973
 O        -1.556689132871      0.897799726921     -0.974569904540
 C        -3.704423722757     -0.468526855698     -0.131614835063
 F        -4.354813762759     -0.896793151614      0.962531191428
 F        -3.339561889357     -1.544815819536     -0.858798374352
 F        -4.545624908977      0.275561211283     -0.868737356385
 C         3.789228176356     -1.435145567097      0.087775553081
 O         3.092061484376     -2.418669106668     -0.044583229312
 O         5.108644877776     -1.486017774695      0.356050343934
 H         5.355940453698     -2.423523623356      0.420412742848
