21
4-NH2PhN2~HSO4_UB3LYP-aug-cc-pVDZ-Opt
 C        -0.813516880512      0.227407604426     -0.690670274794
 C         0.356321481915      0.871028684247     -1.026491169453
 C         1.417683431133      0.881262842839     -0.090764266622
 C         1.323437172418      0.258852189575      1.175139179305
 C         0.138648897772     -0.371173230982      1.490767955619
 C        -0.944578842393     -0.409422198870      0.575405277206
 H        -1.641006785635      0.201773510768     -1.398958593312
 H         0.469172746405      1.357450159834     -1.993922313359
 N         2.564676591123      1.535290366891     -0.454573469801
 N         3.439989241128      2.127991563550     -0.814526036232
 H         0.042981868312     -0.861308536931      2.459625380468
 H         2.176422203237      0.273140245278      1.866487194596
 S         4.837971740283      0.065653490803      1.721366683805
 O         3.858837919013      0.267550626272      2.845456910968
 O         6.144334665100     -0.556666064195      2.067554915059
 O         4.165200521866     -0.449920181427      0.473733134651
 O         5.248921032714      1.681344595203      1.293011549966
 H         6.216829283850      1.684852097160      1.256894734306
 N        -2.099544385218     -1.042212815695      0.903850633338
 H        -2.192532180565     -1.526579909620      1.783405366569
 H        -2.865049721948     -1.109215039125      0.251507207718
