%chk=000059391.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000059391 0 1 Cl 2.382300 2.730300 -5.6800000E-02 O -0.5783000 0.4612000 1.413300 N -2.991800 0.4859000 8.3499998E-02 N 0.5162000 0.4266000 -0.6634000 C -4.226200 0.8250000 -0.6239000 C -3.001700 -0.9731000 0.1863000 C -5.251600 -9.8600000E-02 1.6799999E-02 C -4.446500 -1.278700 0.5524000 C -1.806200 0.9869000 -0.5958000 C -0.5687000 0.5978000 0.1941000 C 1.840500 6.5099999E-02 -0.3190000 C 2.180500 -1.279700 -0.2848000 C 2.774100 1.047600 -2.2900000E-02 C 3.482300 -1.649800 5.2999999E-02 C 1.189000 -2.352600 -0.6006000 C 4.075900 0.6774000 0.3150000 C 4.430000 -0.6712000 0.3528000 H -4.153200 0.6082000 -1.697400 H -4.497900 1.877800 -0.4987000 H -2.323700 -1.363700 0.9509000 H -2.756200 -1.449600 -0.7719000 H -6.009300 -0.4193000 -0.7053000 H -5.766600 0.4045000 0.8435000 H -4.567400 -1.345900 1.640100 H -4.779100 -2.226900 0.1180000 H -1.743700 0.6048000 -1.622400 H -1.827400 2.082200 -0.6414000 H 0.4242000 0.7968000 -1.607100 H 3.775400 -2.695700 8.8299997E-02 H 1.653300 -3.344700 -0.6181000 H 0.3961000 -2.373700 0.1543000 H 0.7443000 -2.188900 -1.587900 H 4.826600 1.427200 0.5516000 H 5.443600 -0.9594000 0.6161000 %chk=000059391-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000059391 0 1 Cl 2.271218 2.872798 -0.189119 O -0.564134 -0.964820 0.820181 N -3.047164 0.205647 -0.050526 N 0.630305 0.390462 -0.676309 C -4.214226 0.987104 -0.541916 C -3.507940 -1.207671 -0.010265 C -5.438553 0.314322 0.142344 C -4.916272 -1.085656 0.614177 C -1.812649 0.463793 -0.787083 C -0.551733 -0.115672 -0.109826 C 1.962026 0.080980 -0.268296 C 2.447283 -1.260976 -0.175910 C 2.866167 1.144496 -0.004770 C 3.788087 -1.463225 0.239144 C 1.585674 -2.445804 -0.555642 C 4.198578 0.941991 0.382969 C 4.655642 -0.387696 0.522506 H -4.315784 0.917863 -1.656739 H -4.102611 2.054825 -0.278591 H -2.809849 -1.816572 0.583070 H -3.572639 -1.642086 -1.043615 H -6.281979 0.224543 -0.564497 H -5.786855 0.908648 1.003763 H -4.835853 -1.110607 1.713959 H -5.576775 -1.912883 0.300832 H -1.841986 0.057938 -1.837368 H -1.685883 1.561273 -0.882042 H 0.532478 1.236483 -1.247050 H 4.158345 -2.491326 0.319090 H 2.208580 -3.339986 -0.727025 H 0.849071 -2.663405 0.238182 H 1.007129 -2.240353 -1.475369 H 4.853304 1.795165 0.579328 H 5.687796 -0.575792 0.835013