20
PhN2~OAc_UB3LYP-aug-cc-pVDZ-Opt
 C        12.582028393264      5.997432195599      2.232120902815
 C        12.269478669570      5.138214789763      1.177682117451
 C        12.036340147741      3.787591688598      1.456036269703
 C        12.173029684858      3.260343461817      2.745816433449
 C        12.517237499689      4.130416529758      3.781261309448
 C        12.708218107514      5.494558686734      3.531636247462
 H        12.742595155093      7.057122361077      2.035054032582
 H        12.190479607936      5.501735982168      0.154153888958
 N        11.762365075913      2.931505356549      0.350243493375
 N        10.980488784559      2.065768580666      0.175431351800
 H        12.970050600583      6.165199799873      4.350236120423
 H        12.637469992820      3.737628665955      4.790827779753
 H        12.040111811151      2.193453348627      2.914931666417
 O         9.791974361504      1.967991314995      1.405870831107
 C         9.908569028916      0.826853752937      2.076405366109
 O        10.933831324633      0.162255652013      2.123851103997
 C         8.625493348101      0.446838503253      2.790489587523
 H         8.140989918285      1.328680578369      3.227227700865
 H         7.931725735382      0.013761005839      2.055980239075
 H         8.844942752487     -0.297772254590      3.562253557689
