16
4-NO2PhN2~Br_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        -1.491460657946     -1.586993779274     -1.331405302666
 C        -0.107843841270     -1.452516069307     -1.279213369313
 C         0.411401656390     -0.243636133367     -0.798890362045
 C        -0.375018451187      0.836023412341     -0.369008736244
 C        -1.756981688609      0.685822555358     -0.427771765994
 C        -2.281520540251     -0.517300849421     -0.905632025000
 H        -1.950669878746     -2.501434651229     -1.694555392247
 H         0.552435833603     -2.255062253727     -1.598945563917
 H         0.097426097495      1.748030440050     -0.006552498312
 H        -2.418020304735      1.486590106739     -0.108958263000
 N        -3.755957227244     -0.667197727376     -0.964268716429
 O        -4.440799832139      0.279922281848     -0.591142555843
 O        -4.205342019114     -1.729379972213     -1.382510574703
 N         1.802501957690     -0.098468032468     -0.742329211881
 N         2.794731847741      0.402788669692     -0.542402440316
 Br        2.606317048322      2.860812002353      0.440086777909
