23
3-NO2PhN2~OTf_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        -1.804698828409      1.531995361889      0.599290969821
 C        -0.991587524071      0.402041968360      0.573420771912
 C        -1.576135211676     -0.791287262143      0.112994867454
 C        -2.904876693777     -0.917322609509     -0.316001613962
 C        -3.659765349251      0.244436628383     -0.266684772720
 C        -3.137462402332      1.462516658880      0.181792694690
 H        -1.395571270916      2.477481755385      0.948452042431
 H         0.053144326022      0.431376206262      0.890170598267
 H        -3.318988551856     -1.859436249792     -0.662961371591
 N        -0.787276930151     -1.934149528021      0.086409097154
 N        -0.147432274916     -2.839100532862      0.071709823766
 S         2.874147633565     -0.176966422203      0.449410327931
 C         3.491688892380      1.170716630481     -0.731874457373
 O         2.120238790221      0.599764743158      1.496484365963
 O         4.136054558675     -0.831382033550      0.924669561149
 O         1.998836409925     -1.029683539407     -0.429486180590
 F         2.457115631496      1.864024906918     -1.246230085515
 F         4.298949493742      2.034015186450     -0.085023874885
 F         4.184597451746      0.627213437760     -1.751648112242
 H        -3.774461270911      2.343292511865      0.201668838932
 N        -5.070109617847      0.179054536650     -0.705017466441
 O        -5.728865068237      1.211411199261     -0.649782497158
 O        -5.494142193422     -0.903513554215     -1.096163526995
