21
PhN2~OTf_TS1_UB3LYP-aug-cc-pVDZ-OptTS
 C        -0.735512365777     -0.099545375287     -4.316386655973
 C        -0.507129158734      0.866483246248     -5.350900926005
 C        -1.670741659312      1.409356860947     -5.642800460096
 C        -2.982987548457      1.367808827934     -5.307616145196
 C        -3.128362922985      0.395883690306     -4.287447793324
 C        -2.018801006062     -0.316964924409     -3.809270741139
 H         0.152475899124     -0.633389047016     -3.971797934659
 H         0.547347306895      1.066416781792     -5.788101077050
 H        -3.798401065617      1.953355077502     -5.718639348535
 H        -4.129345420253      0.225179421764     -3.889926831507
 N        -1.324690153482      2.897444293679     -7.227695290775
 N        -0.860517464252      3.548968022197     -7.986933856482
 S         2.962599942192      0.415674925542     -5.751103965688
 C         3.309558008705     -0.752351355443     -7.203557544636
 O         4.270431106919      1.035437538454     -5.434421594574
 O         2.324213987610     -0.467984892863     -4.722540540969
 O         1.944196405724      1.388443549047     -6.375389926976
 F         3.838689682983     -0.081665719582     -8.240131152961
 F         4.166107655525     -1.717017936469     -6.832397157018
 F         2.163746788991     -1.336530245405     -7.617057526870
 H        -2.161278019737     -1.058102738939     -3.023383529567
