23
3-NO2PhN2~OTf_TS1_UB3LYP-aug-cc-pVDZ-OptTS
 C        -0.721284682905     -0.088009154364     -4.302593988126
 C        -0.493258121821      0.871159757039     -5.341255268945
 C        -1.647272157197      1.420340445882     -5.648121161296
 C        -2.959074727708      1.384035280685     -5.317483423149
 C        -3.092944301970      0.419400596445     -4.296257335652
 C        -2.004258295497     -0.305081357678     -3.792935448990
 H         0.157840786181     -0.626742081338     -3.944604366437
 H         0.598406149222      1.072067205221     -5.789049048197
 H        -3.796167510683      1.951192282482     -5.711662648426
 N        -1.323999182301      2.895443050905     -7.230036575164
 N        -0.867752746029      3.547499038827     -7.993579933932
 S         2.950118809290      0.399291164391     -5.734291930144
 C         3.272932541293     -0.750009135404     -7.206591817957
 O         4.247467250853      1.048735679717     -5.447849909873
 O         2.334384879781     -0.487511378695     -4.699038396357
 O         1.899721980091      1.370918165396     -6.336091729586
 F         3.769592584541     -0.061452571990     -8.244986077780
 F         4.146271028932     -1.705932195013     -6.860122418773
 F         2.121874047567     -1.338214888364     -7.593636197414
 H        -2.174285057495     -1.034134794480     -3.004467219678
 N        -4.460168209636      0.196381408043     -3.761153884884
 O        -5.367585747003      0.863393362301     -4.244740890691
 O        -4.578659317503     -0.638469880010     -2.875750328550
