%chk=000063787.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000063787 0 1 Cl 1.848800 0.8082000 2.539700 F -5.165200 1.728300 -0.3665000 O -0.1647000 2.021300 -0.5708000 N 0.5968000 -0.1521000 -7.5400002E-02 N -1.002200 -1.848200 0.4014000 C 0.2257000 -1.461900 0.2380000 C -1.781800 0.4007000 -0.1539000 C -0.3791000 0.8400000 -0.3087000 C 1.278000 -2.546400 0.3485000 C -2.032100 -0.9199000 0.2190000 C 1.972600 0.2595000 -0.1315000 C -2.836800 1.299200 -0.3527000 C -3.357500 -1.335600 0.3918000 C 1.526200 -3.159800 -1.007000 C 2.634600 0.7130000 1.004000 C 2.630200 0.1933000 -1.355300 C -4.152400 0.8722000 -0.1779000 C -4.413200 -0.4441000 0.1952000 C 3.970200 1.105300 0.9152000 C 3.965900 0.5854000 -1.444200 C 4.635900 1.041500 -0.3090000 H 2.211100 -2.159500 0.7648000 H 0.9183000 -3.318600 1.038900 H -2.655200 2.331000 -0.6399000 H -3.576100 -2.361600 0.6781000 H 2.274200 -3.955500 -0.9309000 H 1.884100 -2.434000 -1.739300 H 0.6085000 -3.601400 -1.411000 H 2.115700 -0.1454000 -2.250400 H -5.437700 -0.7774000 0.3316000 H 4.506700 1.463200 1.790300 H 4.483200 0.5390000 -2.398000 H 5.675500 1.347600 -0.3785000 %chk=000063787-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000063787 0 1 Cl 1.896572 0.550602 2.615528 F -5.223672 1.808567 -0.369512 O -0.036115 2.037910 -0.589810 N 0.568568 -0.179053 -0.072046 N -1.063343 -1.884973 0.395979 C 0.198431 -1.505920 0.264612 C -1.799925 0.423319 -0.146398 C -0.402080 0.866350 -0.295324 C 1.282301 -2.551923 0.427828 C -2.081414 -0.937598 0.196909 C 1.959650 0.221825 -0.165711 C -2.851219 1.355806 -0.338599 C -3.436846 -1.349511 0.344107 C 1.631276 -3.243979 -0.917862 C 2.691932 0.604101 0.981529 C 2.586953 0.293911 -1.429480 C -4.161684 0.903123 -0.183699 C -4.482304 -0.433648 0.154714 C 4.031432 1.026815 0.889774 C 3.927410 0.718961 -1.539949 C 4.649736 1.081128 -0.379924 H 2.192092 -2.117382 0.875071 H 0.883192 -3.303854 1.128079 H -2.621177 2.393152 -0.597468 H -3.633236 -2.392410 0.607296 H 2.363148 -4.053309 -0.747483 H 2.073014 -2.533455 -1.638565 H 0.725519 -3.685080 -1.369005 H 2.004305 0.035361 -2.319525 H -5.530481 -0.727049 0.262712 H 4.575313 1.315128 1.793719 H 4.401292 0.775265 -2.524833 H 5.689556 1.415119 -0.457064