22
4-NO2PhN2~OOCCF3_TS1_UB3LYP-aug-cc-pVDZ-OptTS
 C        13.395009859838      5.946085712349      2.247774276471
 C        12.764808028203      5.393772994604      1.131831030133
 C        11.979663845985      4.308818028011      1.476527069588
 C        11.672586889149      3.660849505119      2.588715375598
 C        12.333429760335      4.253392122537      3.700393671306
 C        13.163218781350      5.361503953086      3.504725883231
 H        14.051274478436      6.807463855027      2.158599086922
 H        12.889045268053      5.783440182709      0.124318271991
 N        11.198914611388      3.640640779474      0.023634687786
 N        10.581160862221      2.999494064681     -0.632079094080
 H        12.205585666342      3.859218034474      4.707274383222
 H        10.710469407568      2.350129636058      2.928678399542
 O         9.501814292824      1.213884326584      1.134959848358
 C         9.499581585894      0.939115511122      2.318387040279
 O        10.141119155330      1.538214316245      3.287697755715
 C         8.664833311946     -0.254480419922      2.860125359404
 F         8.003965129336     -0.875126008909      1.871836247529
 F         9.465047562538     -1.162731972472      3.463805965833
 F         7.757229937439      0.170192740179      3.768768791012
 N        13.842975528541      5.963704033797      4.680021233539
 O        14.566230421474      6.936106598104      4.480765783223
 O        13.640435615811      5.453512007142      5.775638933396
