24
4-HOOCPhN2~OTf_UB3LYP-aug-cc-pVDZ-Opt
 C        -1.447485208056     -0.228616285367     -0.252122837019
 C        -1.407963463027      1.161307145661     -0.073035786716
 C        -2.545112597851      1.969153848721      0.103659371142
 C        -3.780474478254      1.337985599991      0.115479731018
 C        -3.863212802240     -0.055512849795     -0.057494650155
 C        -2.706525145086     -0.827808875349     -0.242062542138
 H        -0.512528129074     -0.775800237059     -0.401964815491
 H        -2.450889672525      3.045310974190      0.234348467360
 H        -4.696119886542      1.908740123106      0.255572916819
 H        -2.784743765487     -1.904007495224     -0.376251570318
 N        -0.163684817412      1.792951107025     -0.071129037091
 N         0.873489602602      2.198048723481      0.009652793621
 S         2.343793962319     -0.603365927804      0.416576107040
 O         2.013910470550      0.594202707925      1.296156670660
 O         2.550924362535     -1.881284543018      1.143083579479
 O         1.457443087034     -0.657849350385     -0.807084449464
 C         4.039552348017     -0.156974528362     -0.300923779533
 F         4.945980507670     -0.026223685337      0.680139024925
 F         3.968424642256      1.011280432964     -0.974160032340
 F         4.456397729832     -1.110154899147     -1.149855921298
 C        -5.231675627389     -0.671006106417     -0.038173204087
 O        -6.252122440938     -0.037550707953      0.115438490477
 O        -5.202442398245     -2.009919694593     -0.211192570218
 H        -6.120236280688     -2.326805477252     -0.183455956675
