%chk=000053922.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000053922 0 1 Cl 1.451200 2.728900 -5.5700000E-02 O -0.7244000 -0.2622000 1.490900 N -3.199500 -0.2606000 0.4489000 N 0.2879000 -8.5000005E-03 -0.6123000 C -4.481800 -0.2407000 -0.2535000 C -2.096500 -0.1168000 -0.4885000 C -4.649800 1.073500 -1.011000 C -5.613300 -0.4436000 0.7493000 C 1.668000 1.6300000E-02 -0.3001000 C -0.7814000 -0.1389000 0.2715000 C 2.370000 -1.180100 -0.2717000 C 2.297100 1.222400 -2.8500000E-02 C 3.730800 -1.169900 3.4699999E-02 C 1.709400 -2.489100 -0.5616000 C 3.657800 1.232700 0.2779000 C 4.374700 3.6499999E-02 0.3096000 H -4.524500 -1.070600 -0.9706000 H -3.105200 -1.141100 0.9552000 H -2.089200 -0.9318000 -1.221700 H -2.118400 0.8447000 -1.011400 H -5.682100 1.178200 -1.365000 H -4.436300 1.940400 -0.3751000 H -4.016500 1.126900 -1.902000 H -5.503600 -1.395800 1.280300 H -6.583700 -0.4591000 0.2414000 H -5.637400 0.3591000 1.495100 H 7.9000004E-02 0.1396000 -1.597100 H 4.304600 -2.092400 6.4599998E-02 H 0.9692000 -2.722400 0.2107000 H 1.217300 -2.464900 -1.539600 H 2.430700 -3.313200 -0.5854000 H 4.174900 2.164000 0.4946000 H 5.434300 4.4599999E-02 0.5484000 %chk=000053922-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000053922 0 1 Cl 1.831318 2.903035 -0.393484 O -0.691833 -1.057025 0.946289 N -3.166816 -0.007038 0.263972 N 0.373185 0.280364 -0.666402 C -4.515604 -0.276303 -0.282514 C -2.081476 0.107311 -0.709921 C -5.029584 0.937351 -1.088684 C -5.464676 -0.604698 0.887003 C 1.736494 0.097745 -0.282771 C -0.746362 -0.278495 -0.048849 C 2.323875 -1.195459 -0.122441 C 2.562407 1.241612 -0.119957 C 3.688630 -1.270066 0.255658 C 1.541918 -2.462946 -0.390598 C 3.917667 1.163652 0.232378 C 4.479207 -0.116357 0.438672 H -4.493455 -1.158897 -0.976867 H -2.897166 -0.653546 1.020278 H -2.215630 -0.578899 -1.588538 H -2.012690 1.134486 -1.126769 H -6.040601 0.737660 -1.489132 H -5.071999 1.828703 -0.436963 H -4.369238 1.167893 -1.945244 H -5.111461 -1.486396 1.455115 H -6.481258 -0.824238 0.515204 H -5.519338 0.253615 1.580756 H 0.191405 1.077713 -1.284625 H 4.138742 -2.260157 0.387720 H 0.837138 -2.669049 0.434715 H 0.933967 -2.371454 -1.309870 H 2.223413 -3.322164 -0.507795 H 4.511163 2.073991 0.350904 H 5.531960 -0.205846 0.725058