25
4-MeOPhN2~OTf_UB3LYP-aug-cc-pVDZ-Opt
 C        -1.870057648641     -0.406138549123     -6.371683974496
 C        -0.924475274035      0.550226353419     -6.673997865739
 C        -1.192582598482      1.878039107718     -6.275595877067
 C        -2.357058524635      2.255338715338     -5.582044634115
 C        -3.290894677892      1.277654612813     -5.282732710852
 C        -3.051967801685     -0.059880402466     -5.677135670270
 H        -1.709736727605     -1.447440640856     -6.644250335728
 H         0.023091591586      0.333420008515     -7.170715718855
 H        -2.513494159485      3.289945235115     -5.282498676886
 H        -4.191610402948      1.554412717856     -4.742887752050
 N        -0.278277047493      2.861453533588     -6.566517822010
 N         0.420133478836      3.690334484100     -6.818699800592
 S         2.568190448313      1.116860881375     -6.029274278418
 C         2.857870190677     -0.724381108628     -5.669854908132
 O         1.956479645294      1.094436650452     -7.416513895634
 O         3.916186244225      1.731674822096     -5.920914240831
 O         1.559019949729      1.513471012214     -4.977720718491
 F         1.691481590714     -1.415397089011     -5.773950655015
 F         3.729389901862     -1.256933047533     -6.542784062988
 F         3.333297740936     -0.905746958645     -4.426352108633
 O        -3.892999848087     -1.073603436815     -5.431421696523
 C        -5.107668331427     -0.829741362153     -4.706321240187
 H        -5.598951602967     -1.802937946739     -4.632700522207
 H        -5.752704853826     -0.128121663788     -5.253116879828
 H        -4.888371282965     -0.446725928843     -3.700303954455
