14
PhN2~Cl_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        -1.518927862488     -1.510598813480     -1.339087520917
 C        -0.131923650571     -1.422546108518     -1.302246585542
 C         0.419496575228     -0.236934136349     -0.789091178815
 C        -0.336984775528      0.852277570366     -0.316469669014
 C        -1.720987744272      0.726012204432     -0.369869958694
 C        -2.304749870851     -0.444457928392     -0.876433722039
 H        -1.990136861649     -2.411017777140     -1.728756010695
 H         0.510171529433     -2.227491699948     -1.651600724164
 H         0.171968621135      1.736881061796      0.066313594342
 H        -2.347916855001      1.542448131467     -0.015551723430
 N         1.797252583494     -0.107372314164     -0.734256527339
 N         2.867135804503      0.183681837829     -0.609157244938
 Cl        2.684919530334      2.786731377199      0.518854501368
 H        -3.390627023766     -0.527613405099     -0.911437230125
