21
PhN2~OTf_UB3LYP-aug-cc-pVDZ-Opt
 C        -1.452959878575     -1.003781132678     -5.550537584518
 C        -0.800139047977      0.061163008757     -6.164411990432
 C        -1.122616466477      1.345828880533     -5.703227986085
 C        -2.039260559223      1.615855904632     -4.671569559846
 C        -2.666680663692      0.524896317065     -4.082057377843
 C        -2.375382261983     -0.775409089519     -4.521597077669
 H        -1.224114653215     -2.019693423148     -5.868350014322
 H        -0.036686811977     -0.046261458035     -6.936300185728
 H        -2.234582729703      2.636810478990     -4.349630806213
 H        -3.379591391208      0.686824337630     -3.275044653185
 N        -0.519602307883      2.442868409477     -6.309148566360
 N        -0.135087291116      3.361632853249     -6.797950182065
 S         2.579032131181      1.279104347774     -6.499990553055
 C         3.231798254119     -0.452896195167     -6.080312228791
 O         3.796381532292      2.069716676074     -6.811429394697
 O         1.823306061049      1.670796233265     -5.249688868923
 O         1.639021251686      1.014448074783     -7.659984633126
 F         3.920470238057     -0.970636619314     -7.110314974715
 F         4.031342523481     -0.419091610811     -5.002388311534
 F         2.198141871940     -1.293080492710     -5.806792996991
 H        -2.871189800776     -1.622205500846     -4.046792053904
