21
PhN2~OTf_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        -1.403864762538     -0.743634219202     -4.481016631251
 C        -0.750297091662      0.255395823836     -5.192824999420
 C        -1.519985848514      1.373586711689     -5.565192859361
 C        -2.885595059527      1.539242086774     -5.264725201203
 C        -3.499485180926      0.517046958988     -4.552307445980
 C        -2.764097636975     -0.613845225540     -4.164913420873
 H        -0.850861113474     -1.628412135296     -4.171183346160
 H         0.301908123143      0.208134620526     -5.467275123120
 H        -3.422054632899      2.430370960652     -5.581307071500
 H        -4.554243530924      0.600582812799     -4.297360665393
 N        -0.890509067255      2.379569911660     -6.275183923124
 N        -0.381889997583      3.186029751465     -6.844534392849
 S         3.306380441105      1.154597289985     -6.270405511102
 C         3.737084583788     -0.561703411124     -6.950738935662
 O         4.277086872053      2.060263566843     -6.969881879488
 O         3.517303056045      1.004711862514     -4.791768679189
 O         1.868756157773      1.331523929125     -6.686811434904
 F         3.588228817212     -0.596402487130     -8.289860802313
 F         5.013914305229     -0.880852616385     -6.660228590274
 F         2.934943986612     -1.502652556887     -6.413213951808
 H        -3.261122420687     -1.406663635294     -3.606785135023
