23
4-NO2PhN2~OTf_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        -2.228796994837     -0.504708998967     -0.557964377349
 C        -1.187769294774      0.413479780369     -0.460277477960
 C        -1.491465978948      1.649249188685      0.131589053373
 C        -2.753537447553      2.019817074951      0.624973042133
 C        -3.774068512063      1.083607824513      0.514408034356
 C        -3.488404232773     -0.151603761419     -0.072101277307
 H        -2.064272952535     -1.480909630105     -1.004789070224
 H        -0.183802990050      0.186527866377     -0.824072595698
 H        -2.921697505991      2.996187802905      1.071756608647
 H        -4.773673032628      1.305597789261      0.876088062061
 N        -4.588437621203     -1.144983068513     -0.183426551166
 O        -5.694400758605     -0.815005306195      0.229518209227
 O        -4.322033268019     -2.232835098545     -0.681219818300
 N        -0.464779080992      2.585488779291      0.228413949310
 N         0.356071900267      3.325989146701      0.300496139912
 S         2.714641626308      0.146763437266     -0.533153786330
 C         3.065169238906     -1.435073155480      0.450763673351
 O         1.767153054239     -0.318084065713     -1.607470905522
 O         4.070137249682      0.567851316090     -1.014725625554
 O         2.083995494984      1.054868225013      0.488361491035
 F         1.924373014839     -1.944370188948      0.955618091108
 F         3.631284753953     -2.368368108301     -0.339091730773
 F         3.904135142340     -1.182156694420      1.474266920793
