24
2-HOOC-4-BrPhN2~OTf_UB3LYP-aug-cc-pVDZ-Opt
 C        -0.679428375940     -0.576478453946     -0.401868332047
 C        -0.799216489746      0.812177247998     -0.264786146272
 C        -2.030190807530      1.466820157507     -0.035358137462
 C        -3.168735135284      0.671295732550      0.073635644930
 C        -3.066024562371     -0.721683864110     -0.057463137352
 C        -1.838358355727     -1.345413886267     -0.296354083877
 H         0.310165572075     -1.012661302471     -0.588828178978
 H        -4.131729930500      1.138343389108      0.259567401233
 H        -1.773920306241     -2.427152192232     -0.395120251187
 N         0.382129513950      1.545456200511     -0.375494759098
 N         1.437789489136      1.903554543916     -0.391236714200
 S         2.969883744261     -0.826189845931      0.380621323251
 O         2.477829607424      0.388769676180      1.149840865620
 O         3.149885842704     -2.058159400986      1.191259656314
 O         2.237834413884     -0.990534641541     -0.933863514841
 C         4.716379902387     -0.326752855960     -0.157886976780
 F         5.491456897490     -0.101282779800      0.914991577681
 F         4.674305014833      0.800731508598     -0.897913907311
 F         5.275565445740     -1.298592801622     -0.897193831284
 Br       -4.638267087789     -1.775080206020      0.092955304172
 C        -2.085020883630      2.954053451478      0.087045304675
 O        -1.112434139324      3.668330634117     -0.025733635845
 O        -3.327786160181      3.411182623534      0.329876245313
 H        -3.275913209621      4.379367065389      0.396008283344
