14
PhN2~Br_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        -1.527126201561     -1.521010904626     -1.343416555748
 C        -0.140180420527     -1.429443897700     -1.305000878422
 C         0.409558179575     -0.243171774809     -0.791693074213
 C        -0.351371210785      0.843052460821     -0.320501167310
 C        -1.735136624052      0.714608624368     -0.374883745766
 C        -2.316191866384     -0.457100823652     -0.881878317502
 H        -1.995320050177     -2.422738006822     -1.733569162129
 H         0.503479629793     -2.233622382999     -1.653896336447
 H         0.148774335819      1.731441583108      0.063840603313
 H        -2.363658088457      1.530038781465     -0.021116037229
 N         1.788174224447     -0.113955488533     -0.736994763053
 N         2.852122888212      0.203871070503     -0.600544933884
 Br        2.837348023955      2.880915194323      0.558914780231
 H        -3.401782819857     -0.542884435447     -0.918050411841
