21
4-MeOPhN2~OOCH_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        11.747610328377      8.323528012605     -1.567913132769
 C        10.508597105267      7.893131173705     -1.982772631760
 C        10.133161109157      6.564568926578     -1.666895266421
 C        10.966077070515      5.676546385335     -0.954101317902
 C        12.207398744838      6.130228679593     -0.546759495711
 C        12.607860979673      7.453181959424     -0.849019295159
 H        12.085558558488      9.334810482570     -1.784180282609
 H         9.835658484201      8.545257985571     -2.534580496663
 H        10.595055373168      4.669193768092     -0.754556070919
 H        12.859315067754      5.457891748365      0.002823164515
 N         8.906563847185      6.115095041455     -2.069041304005
 N         7.906977190806      5.742859915050     -2.394343808627
 O        13.783048913394      7.978161390126     -0.498605406199
 C        14.732588785986      7.175915685753      0.236184556246
 H        15.593860390575      7.828266364597      0.394043706327
 H        15.026956614484      6.298681030789     -0.352944694904
 H        14.308411935614      6.871357474526      1.200853648745
 O         7.994213468652      1.353522898375     -0.736813052282
 C         8.889047917756      2.231613856335     -0.646403914511
 O         8.864085259249      3.414266514556     -1.093055191590
 H         9.826252854859      1.933920706601     -0.103819713803
