%chk=000016073.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000016073 0 1 Cl -5.050000 1.434800 0.6155000 O 2.206900 0.9895000 -0.1886000 O 1.352400 -1.084100 -0.6365000 N -2.5100000E-02 0.7192000 -4.3699998E-02 C -1.311800 0.1801000 -5.8100000E-02 C 3.524500 0.4882000 -0.4424000 C -2.409400 0.9835000 0.2511000 C -1.500300 -1.163200 -0.3838000 C -3.695500 0.4436000 0.2348000 C -2.786300 -1.703000 -0.4001000 C -3.883900 -0.8996000 -9.1100000E-02 C 1.184800 8.7700002E-02 -0.3213000 C 4.527300 1.622900 -0.2927000 C 3.814100 -0.6027000 0.4959000 C 4.052400 -1.496900 1.260900 H 3.565900 0.1259000 -1.477100 H -2.262000 2.031200 0.5046000 H -0.7003000 -1.846000 -0.6340000 H 4.0399998E-02 1.704200 0.2018000 H -2.934300 -2.748800 -0.6535000 H -4.880300 -1.333900 -0.1081000 H 5.550200 1.284200 -0.4867000 H 4.491700 2.051000 0.7161000 H 4.289300 2.435900 -0.9872000 H 4.263000 -2.290100 1.939500 %chk=000016073-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000016073 0 1 Cl -5.037894 1.413811 1.147000 O 2.220557 0.809059 0.061765 O 1.285367 -1.078407 -1.015079 N -0.013332 0.526725 0.156109 C -1.341974 0.060868 -0.029450 C 3.601617 0.304241 -0.257997 C -2.383544 0.834865 0.550916 C -1.653204 -1.121014 -0.753311 C -3.712133 0.409182 0.394851 C -3.002609 -1.509782 -0.885682 C -4.054990 -0.756032 -0.316458 C 1.155205 -0.033839 -0.333067 C 4.433019 1.538377 -0.636674 C 4.134630 -0.426149 0.906126 C 4.602382 -1.038197 1.867918 H 3.499961 -0.393713 -1.111021 H -2.160313 1.749296 1.110972 H -0.849313 -1.712253 -1.195134 H 0.118938 1.377558 0.707606 H -3.242429 -2.421182 -1.443545 H -5.098725 -1.062763 -0.421309 H 5.465519 1.233538 -0.880161 H 4.466891 2.254971 0.200271 H 3.989084 2.033269 -1.516553 H 5.000992 -1.578829 2.707207