22
4-NO2PhN2~OAc_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        15.053600937710      8.594636994242     -3.100910843507
 C        13.946771035058      8.364351130597     -2.288137414221
 C        13.929563976209      7.241215171109     -1.451479726728
 C        15.026243646775      6.370507166042     -1.372603206846
 C        16.144197074059      6.614260641728     -2.164244148458
 C        16.137176229767      7.716474930838     -3.024165827004
 H        15.084514428023      9.447716870596     -3.772730091802
 H        13.097433167503      9.044407064810     -2.304198165540
 H        15.007625371436      5.519098886545     -0.696908002427
 H        17.008439082318      5.957264227825     -2.123092664536
 N        17.312975569760      7.965448538126     -3.867333189765
 O        17.291626777756      8.937586838466     -4.622797085731
 O        18.265590309036      7.189991256976     -3.780496406626
 N        12.810809253453      7.103675937546     -0.570437429129
 N        12.060932366900      6.150781353824     -0.500247888220
 C        11.590803538861      3.985334347971     -1.402025795343
 O        10.826798999112      3.789673408968     -0.486501649477
 O        12.369900874151      5.114365766016     -1.526234814934
 C        11.849297517411      3.064227102553     -2.562112494506
 H        11.512753603786      3.543705917226     -3.491317614994
 H        12.924785633375      2.868385278115     -2.658624530662
 H        11.305380607541      2.128191169879     -2.408111009543
