31
PhN2~OTs_UB3LYP-aug-cc-pVDZ-Opt
 C         3.011716595175      0.922496811013     -0.013247487018
 C         2.025455974120     -0.063351686897     -0.005910644035
 C         2.441362403268     -1.406509440756      0.007319973503
 C         3.796495779728     -1.769861092154      0.013201160026
 C         4.762404116634     -0.766167174062      0.005966868659
 C         4.368945698207      0.577393171435     -0.007280660583
 H         2.715461394124      1.971054863748     -0.023685329745
 H         0.965762151173      0.172971115865     -0.010340351784
 H         4.069455830423     -2.823688176933      0.023221281501
 H         5.819217425943     -1.030294573893      0.010494642290
 H         5.126066932368      1.361856004365     -0.013040795075
 N         1.519244424920     -2.470316963999      0.014791356542
 N         0.393216051968     -2.738999042435      0.016271517260
 C        -3.284158169175      0.586306935426      1.210339042944
 C        -3.893175371578      1.841221671352      1.202242634604
 C        -4.210986203916      2.488843712737     -0.004691923148
 C        -3.903575325322      1.841617190865     -1.210600565790
 C        -3.293165236433      0.583869002109     -1.222884468270
 C        -2.989086544245     -0.029844899954     -0.008460452024
 H        -3.055396615845      0.075338529113      2.144072887521
 H        -4.134178833870      2.323400223169      2.151316757403
 H        -4.151908904552      2.322860781226     -2.157688663251
 H        -3.071526151495      0.072723411705     -2.158229826340
 S        -2.195502541525     -1.653501250034     -0.010071812180
 O        -2.529582664524     -2.345068548264      1.264598746320
 O        -0.653508265432     -1.185797684957      0.008368913263
 O        -2.503360659405     -2.329934607912     -1.299433795355
 C        -4.879371346541      3.842946329919      0.007626522470
 H        -5.862415148318      3.793444740361      0.498844152583
 H        -4.277098869840      4.577749756460      0.561763073508
 H        -5.029407926034      4.224340891385     -1.009972755799
