14
PhN2~Br_UB3LYP-aug-cc-pVDZ-Opt
 C        -1.515428165316     -1.498374812820     -1.333788154385
 C        -0.126822342662     -1.399502344201     -1.292262011333
 C         0.457252933142     -0.228298229747     -0.785385146823
 C        -0.314302633956      0.846889169443     -0.318830768512
 C        -1.703540033203      0.725824154378     -0.369973014615
 C        -2.302179520136     -0.435550729018     -0.872575799830
 H        -1.983999390503     -2.400994474099     -1.724406764320
 H         0.513512043532     -2.207514757784     -1.642941354629
 H         0.172861041721      1.739210504861      0.067312448503
 H        -2.322883199619      1.548389787901     -0.013012695807
 N         1.871443774439     -0.209042762159     -0.778376508810
 N         2.802118385755      0.438273902158     -0.498786741233
 Br        2.549923123442      2.533950280633      0.409454100564
 H        -3.389266016637     -0.513259689547     -0.905217588770
