33
4-NO2PhN2~OTs_UB3LYP-aug-cc-pVDZ-Water-Opt
 C         2.490677362445      0.738101704395      0.272119549632
 C         1.748521969064     -0.397329676577     -0.035250215967
 C         2.468471557501     -1.540146594823     -0.417528007426
 C         3.867190881195     -1.619022027977     -0.510065216518
 C         4.584639086334     -0.470524637936     -0.198313965082
 C         3.882375768975      0.675695442888      0.182771446139
 H         1.998105975866      1.657237953049      0.575620673548
 H         0.660279940633     -0.437326037696      0.010648929430
 H         4.362426763174     -2.538159046429     -0.811520189759
 H         5.669278220580     -0.462041936764     -0.249612624316
 N         1.732267711114     -2.679581736047     -0.729471114113
 N         1.122724250465     -3.572019796244     -0.973562514919
 C        -2.388926423578      0.980896885699      0.929476386583
 C        -2.852054513802      2.284113469200      0.745563349124
 C        -3.860429499286      2.574364789071     -0.191981320881
 C        -4.391391208890      1.515515938693     -0.942378426790
 C        -3.936127927975      0.202489972651     -0.770077481217
 C        -2.936739179522     -0.057460596415      0.167417152936
 H        -1.615389403075      0.772083246489      1.667027295157
 H        -2.426025206388      3.090481442809      1.344750806141
 H        -5.177004684227      1.714157939135     -1.672661831783
 H        -4.361387911136     -0.613031711912     -1.352195131721
 S        -2.300195929299     -1.745850630015      0.376600302990
 O        -2.089114719778     -1.938460963491      1.862982256783
 O        -0.985498568635     -1.786558946402     -0.397599681632
 O        -3.338795828383     -2.672529548588     -0.213569096092
 C        -4.354047604238      3.989731619748     -0.372136189182
 H        -4.778280009249      4.380734804015      0.564174504135
 H        -3.531170058838      4.660690950212     -0.658304831173
 H        -5.127714753917      4.046820930156     -1.147312114409
 N         4.662881763485      1.896957104910      0.511931709803
 O         4.038490523151      2.892688799348      0.859921586599
 O         5.883261656234      1.833610894849      0.415114003979
