35
4-MeOPhN2~OTs_UB3LYP-aug-cc-pVDZ-Water-Opt
 C         2.820450257960      0.228428073475      1.426526060997
 C         1.881057715985     -0.323365921869      0.584634434286
 C         2.303236638969     -0.679499070549     -0.719050300964
 C         3.624512475182     -0.492482890374     -1.180319869923
 C         4.549486055827      0.063040782788     -0.317844269632
 C         4.155284995231      0.428007095718      0.992791435374
 H         2.550676823547      0.520619301530      2.439430138198
 H         0.849854471199     -0.484757850021      0.900072174778
 H         3.901508624991     -0.780854295915     -2.191598965254
 H         5.568529165996      0.210805456605     -0.661532444945
 N         1.396697847494     -1.229792817036     -1.580661555507
 N         0.667598712394     -1.678441280738     -2.295098185779
 C        -2.356827400985      1.329841723330     -0.149466633900
 C        -3.138129930858      2.358615593376     -0.674554693806
 C        -4.544379622089      2.295957096567     -0.642200560295
 C        -5.143056625802      1.167938123216     -0.065088638755
 C        -4.370982482686      0.126168474120      0.466117429737
 C        -2.980580634551      0.213195796772      0.420244055095
 H        -1.270174554077      1.398273694683     -0.183760684650
 H        -2.648344451333      3.227237215689     -1.117743495660
 H        -6.230886851102      1.095919255481     -0.026851956148
 H        -4.845204459943     -0.745483613190      0.912814766571
 S        -1.952075832109     -1.123316704948      1.096306798027
 O        -1.077881492865     -0.482224398241      2.160537634793
 O        -1.120130004952     -1.637064066335     -0.067964791727
 O        -2.904329978046     -2.158953352461      1.648612919805
 C        -5.373878740292      3.418962468994     -1.216876487310
 H        -5.152180266115      4.370769788735     -0.712603944932
 H        -5.156736866496      3.562020150076     -2.285465291446
 H        -6.446606403653      3.217360514245     -1.110294954975
 O         4.975093701870      0.970348181572      1.893431685807
 C         6.355816031677      1.217542253494      1.548779011832
 H         6.419266324326      1.927304959613      0.714795637206
 H         6.798666371503      1.653390787158      2.446565984009
 H         6.860450383805      0.276469474442      1.298127559095
