20
PhN2~OAc_TS1_UB3LYP-aug-cc-pVDZ-OptTS
 C        13.402617078276      5.952180056452      2.244561195666
 C        12.765778080269      5.406650409242      1.125507680152
 C        11.977721939312      4.318018366071      1.458985962304
 C        11.683674759963      3.671726463234      2.580864339429
 C        12.357861225731      4.269037867429      3.683317927924
 C        13.194024086139      5.379705181237      3.514059918107
 H        14.055563420144      6.816458669998      2.124950338412
 H        12.883892961621      5.800362044385      0.117675320232
 N        11.201536862967      3.661923354077      0.058453851980
 N        10.562186418647      2.989871809722     -0.547878524463
 H        13.696853668414      5.814671240567      4.380022151467
 H        12.223182846971      3.855451931269      4.685634612189
 H        10.680772030041      2.303942689490      2.931831493491
 O         9.499585662945      1.220041352406      1.155296130085
 C         9.465017066408      0.891778299754      2.335186924618
 O        10.129965464252      1.509716046833      3.303123132177
 C         8.648474421556     -0.275344849882      2.842852015068
 H         8.121025598040     -0.750227557302      2.010885895546
 H         9.308101898410     -1.001763876694      3.336524057667
 H         7.929574509895      0.075400501712      3.595625577948
