21
4-NO2PhN2~HSO4_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        -1.710214713523     -0.771974188472      0.326474473253
 C        -0.558239363265      0.008983895925      0.338355434625
 C        -0.727828595884      1.383673981125      0.113279606528
 C        -1.959477099016      2.018503778142     -0.119063431123
 C        -3.092210242954      1.214173841969     -0.127047546121
 C        -2.941169470326     -0.156782935732      0.094938058566
 H        -1.652639171164     -1.843584582530      0.493680196782
 H         0.430220895139     -0.421935616829      0.513422817361
 H        -2.020479217684      3.090930384295     -0.285332098216
 H        -4.075422994608      1.640677527636     -0.301965484826
 N        -4.160589165123     -1.006359639497      0.083503582708
 O        -4.016206278789     -2.209019122508      0.270857444637
 O        -5.236174938497     -0.451981820359     -0.112898066243
 N         0.411965004481      2.183782186730      0.127647544665
 N         1.321733600262      2.815810215094      0.140555897333
 S         3.239893280054     -0.687533179316     -0.123723528064
 O         3.295747256487     -1.903274797975     -1.294104741498
 H         3.916086071510     -1.613858283836     -1.983620954050
 O         2.330639195848     -1.311715688386      0.895809637223
 O         4.657751020100     -0.488759097803      0.323002223127
 O         2.643833325483      0.511225551285     -0.814422492784
