17
PhN2~OOCH_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        12.947426593250      6.092717197104      2.285638662551
 C        12.450727273303      5.392561059854      1.193351238249
 C        11.876808731534      4.133226592491      1.452058586678
 C        11.776753313138      3.549442617881      2.728054786188
 C        12.286113476725      4.283763934221      3.793567234798
 C        12.865109181451      5.541732706432      3.574116658858
 H        13.400358639254      7.070823729588      2.134452653538
 H        12.497045336039      5.787728166017      0.181301733649
 N        11.375814689274      3.418823008596      0.377311890503
 N        10.974323389285      2.845487468236     -0.485094749953
 H        13.259551183450      6.104214952501      4.419913856975
 H        12.231701268820      3.873764158891      4.800488975343
 H        11.312369090741      2.566441880998      2.816434319108
 O        10.389938407562      1.049998146362      1.515915522166
 C         9.986941271618      0.030922973295      2.148253179940
 O         9.424673848033     -0.992247688859      1.684760870360
 H        10.155044306522      0.048899096392      3.258374581049
