19
PhN2~HSO4_UB3LYP-aug-cc-pVDZ-Water-Opt
 C         4.215312671859     -0.047545644026      0.051828995484
 C         3.320804005520      1.011965416897      0.128506115626
 C         1.950055886662      0.695357358737      0.061801058522
 C         1.436534510562     -0.607352728108     -0.078614990568
 C         2.368344803325     -1.637363212216     -0.152288635736
 C         3.741434553859     -1.361324475694     -0.087118672720
 H         5.284592432546      0.149377797058      0.099778923597
 H         3.650291020837      2.042770983366      0.234425168220
 N         1.047208157083      1.740850909969      0.136667912778
 N         0.317391829600      2.575716291618      0.195333782809
 H         4.455495586844     -2.182140899161     -0.146168218810
 H         2.020285237622     -2.662921537339     -0.261606815462
 H         0.361889990562     -0.790329330850     -0.127442223483
 S        -2.540363130263     -0.380581348838      0.145760807904
 O        -1.711458000149     -1.547815968128     -0.304925352425
 O        -3.797779588975     -0.738376240963      0.882852230723
 O        -1.744868175428      0.719022510804      0.797730803046
 O        -3.048219308543      0.247370149715     -1.339765232268
 H        -3.639561238861      0.994468523206     -1.150280925941
