20
PhN2~OOCCF3_TS1_UB3LYP-aug-cc-pVDZ-OptTS
 C        13.380527531215      5.916580120679      2.275379146563
 C        12.760624667000      5.377934322109      1.140114724045
 C        11.972562543888      4.295185462192      1.470115006554
 C        11.654208262700      3.639671481148      2.575150991038
 C        12.312887436616      4.232138407264      3.691771407599
 C        13.152695155456      5.341424997369      3.538649169175
 H        14.036089278337      6.780209152514      2.166090152854
 H        12.894235047391      5.774222905358      0.136481025670
 N        11.189721419641      3.626181162808     -0.012994308857
 N        10.571731660569      2.982139010247     -0.665852942760
 H        13.642170679846      5.771509090725      4.413788519443
 H        12.156098859107      3.808367684605      4.685698050214
 H        10.760539139197      2.428509746709      2.876512332680
 O         9.499342709918      1.212525492292      1.117190196148
 C         9.515837557633      0.964773745779      2.309910613383
 O        10.161972442377      1.577214954897      3.256959095688
 C         8.685605580819     -0.223589376537      2.874773415242
 F         8.014072212196     -0.864280065985      1.904479642692
 F         9.489660166310     -1.125404181940      3.486928016847
 F         7.782717649783      0.209785887767      3.786655745781
