17
PhN2~OOCH_UB3LYP-aug-cc-pVDZ-Opt
 C        12.622939240964      5.999560688425      2.232861035691
 C        12.292636977415      5.156704699546      1.171871544774
 C        12.014736332562      3.814134105421      1.449590392768
 C        12.116632094522      3.271464984946      2.735595261555
 C        12.475531941143      4.128771983889      3.776593425981
 C        12.715997839573      5.485898478290      3.531732249312
 H        12.820486794543      7.054130327654      2.043208964541
 H        12.231816864835      5.525374705779      0.149080458223
 N        11.701058414939      2.971143927290      0.349917139262
 N        10.976010270418      2.096427854931      0.104183196047
 H        12.990202972707      6.144895000692      4.355732405379
 H        12.568868180578      3.730115790753      4.786536010752
 H        11.947665058990      2.207173802057      2.892740207984
 O         9.680186280685      1.836074479929      1.393202919166
 C         9.955305112017      0.768189074691      2.086355801814
 O        11.044863948374      0.217829644747      2.197319457067
 H         9.055761675736      0.390410450959      2.622379529686
