%chk=000152377.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000152377 0 1 Cl -3.109800 2.361500 0.1173000 O 2.103000 -4.7600001E-02 -0.1375000 O -4.118900 -0.4629000 0.3294000 N 3.436400 5.0900001E-02 -0.5622000 N 5.600900 0.1317000 0.3087000 N 3.869800 -4.2599998E-02 1.791100 C -0.1619000 -0.1421000 -0.8575000 C 1.271700 -3.7500001E-02 -1.288100 C -0.8896000 1.014100 -0.5989000 C -0.7493000 -1.394800 -0.7210000 C -2.818500 -0.3371000 -5.9799999E-02 C -2.222400 0.9162000 -0.1989000 C -2.082000 -1.492500 -0.3207000 C -4.368800 -0.5626000 1.729600 C 4.239500 4.5299999E-02 0.4686000 H 1.533600 -0.8768000 -1.944900 H 1.431900 0.8878000 -1.856100 H -0.4199000 1.988900 -0.7065000 H -0.1844000 -2.301300 -0.9198000 H -2.539500 -2.472500 -0.2150000 H -3.944600 -1.490800 2.125200 H -5.451200 -0.5805000 1.883600 H -3.953900 0.2958000 2.266900 H 6.017000 0.2017000 -0.6136000 H 6.229300 0.1271000 1.104600 H 4.559100 -4.0300000E-02 2.534900 H 2.894000 -0.1122000 2.058700 %chk=000152377-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000152377 0 1 Cl -2.605751 2.263089 1.010850 O 2.175647 -0.112638 -0.056221 O -4.229209 -0.306277 0.240523 N 3.567661 0.125162 -0.576069 N 5.744378 0.365706 0.265923 N 3.934460 0.364271 1.801187 C -0.097740 -0.454272 -0.793112 C 1.355122 -0.491694 -1.217844 C -0.614229 0.694138 -0.140676 C -0.967461 -1.536895 -1.065585 C -2.851165 -0.338721 -0.038563 C -1.969466 0.742096 0.224177 C -2.327657 -1.477074 -0.695446 C -4.607174 -0.397548 1.667982 C 4.361804 0.278291 0.484396 H 1.641665 -1.502318 -1.570188 H 1.562948 0.229537 -2.033409 H 0.045777 1.539781 0.073880 H -0.581365 -2.432371 -1.565619 H -3.015061 -2.302380 -0.906131 H -4.259615 -1.357804 2.095625 H -5.706597 -0.357023 1.676607 H -4.196123 0.447146 2.249295 H 6.048229 0.169122 -0.687280 H 6.262407 1.086116 0.770267 H 4.570282 0.105285 2.551685 H 2.929734 0.284174 1.951847