21
4-FPhN2~OTf_UB3LYP-aug-cc-pVDZ-Water-Opt
 F         4.664247494230     -0.560148474608     -0.616621008733
 C         1.145740462570     -0.012113772686     -0.040759169603
 C         1.222338445060      1.352492844459      0.301939379671
 C         2.420911050675      2.093392970371      0.345284972848
 C         3.594005165841      1.428514785802      0.028424750085
 C         3.521874971654      0.073695719835     -0.312332979396
 C         2.331589246602     -0.657743026756     -0.353855316159
 H         0.179476486620     -0.513575010985     -0.049327293091
 H         2.418243150001      3.145852978904      0.618172093964
 H         4.553753530263      1.940077509750      0.042113551346
 H         2.345202211507     -1.710562598013     -0.626946988201
 N         0.048283191715      2.003430768259      0.614649024523
 N        -0.900085429332      2.525148239751      0.865941672759
 S        -2.998728654109     -1.043684329912     -0.285620208885
 O        -2.879496648983     -1.052716197329     -1.781874787494
 O        -3.208996911374     -2.386916132879      0.349944896246
 O        -1.999914253067     -0.162619769190      0.420509455838
 C        -4.641522732825     -0.148743902387      0.021105834769
 F        -5.659953339527     -0.819824063362     -0.552397195437
 F        -4.611629941483      1.095219727455     -0.496957058399
 F        -4.892437496037     -0.049478266477      1.341606373348
