34
x2-Ph-N2-OTf-v1_RB3LYP-aug-cc-pVDZ-Opt
 C         4.187578751598     -0.354007590250      1.008330260515
 C         4.458387120003     -0.310146245398     -0.370186632131
 C         5.723839772948     -0.559936612309     -0.940112439790
 C         6.759794409235     -0.872832227734     -0.069891511978
 C         6.524949541109     -0.927620674355      1.313556165074
 C         5.254500746301     -0.670756433822      1.845247517580
 H         3.182597025264     -0.133450334387      1.367257549289
 H         5.872616387507     -0.508597733265     -2.017215167552
 H         7.753429923268     -1.073478910556     -0.467683053937
 H         7.348402322290     -1.172667535630      1.984485193065
 H         5.091348604533     -0.713511175376      2.921021100009
 N         3.428051077353     -0.001563612609     -1.251891293719
 N         2.650607471061      0.228871897669     -2.013961506113
 S         0.080690068075      0.379216827155      0.198419178140
 O         0.196334366831     -0.412960259665     -1.081139794660
 O        -0.985660632818     -0.125000344807      1.127475993491
 O         1.400833902357      0.713670860470      0.827530409453
 C        -0.582164045696      2.058653068675     -0.372865017287
 F        -1.782719127630      1.887943803827     -0.972035959792
 F         0.258517027537      2.619842435863     -1.255790583490
 F        -0.741182066840      2.886596489156      0.666960322698
 H        -3.020703395685      0.151735492006      1.285107212245
 C        -3.988855009804     -0.192850020601      0.923389389287
 C        -4.044944634926     -1.145502025486     -0.108364407719
 C        -5.206590157700      0.256763764023      1.426868528922
 C        -5.240744247997     -1.661350217498     -0.649629984650
 C        -6.414061622325     -0.231674774396      0.911002994025
 H        -5.210868348702      0.994775006324      2.227451646760
 C        -6.432694320426     -1.184355702911     -0.120618373536
 H        -5.220678308908     -2.400040032003     -1.448868734015
 H        -7.357842335627      0.132991079712      1.316631794119
 H        -7.379629337870     -1.554291142958     -0.510818609569
 N        -2.858111006715     -1.632428823538     -0.645590073135
 N        -1.954129917600     -2.069638295325     -1.125372111600
