20
PhN2~OAc_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        13.378830700461      5.878642118757      2.057883014389
 C        12.680409063429      5.158497135528      1.092229813970
 C        11.746857836871      4.211795883878      1.536744690567
 C        11.478507015364      3.956689610999      2.893165929195
 C        12.193063965307      4.693590637082      3.833163614320
 C        13.135174045285      5.646345988603      3.418383584736
 H        14.112584124209      6.621723061512      1.750476245075
 H        12.843339218691      5.313152905402      0.027845906669
 N        11.036786809870      3.480240292450      0.584931236697
 N        10.314396967855      2.706761661945      0.193483645776
 H        13.686034696898      6.216083456812      4.166313345118
 H        12.014558387909      4.525804102546      4.894174324153
 H        10.735946214889      3.208719814419      3.163564948634
 O         9.289504258347      1.781752571007      1.918498704762
 C         9.675925312373      0.559033569962      1.958589998834
 O        10.629409340666      0.081744705369      1.300226274505
 C         8.869190460509     -0.360196878831      2.878255355706
 H         8.503746329051      0.181692355716      3.759218076081
 H         7.993345740553     -0.728667230478      2.323349986350
 H         9.469809511465     -1.223825762677      3.187011304465
