%chk=000066816.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000066816 0 1 Cl -2.661500 2.131900 1.2600000E-02 S 2.352200 0.1243000 -8.8200003E-02 O 2.811100 0.1952000 1.479400 O 2.971100 -1.063500 -0.6583000 O 2.572700 1.433500 -0.6827000 N -3.524600 -0.7866000 4.5100000E-02 C 0.6257000 -0.1329000 -4.9300000E-02 C -0.2426000 0.9587000 -3.5200000E-02 C 0.1147000 -1.430700 -3.2000002E-02 C -2.132600 -0.5453000 1.3200000E-02 C -1.621700 0.7525000 -4.0000002E-03 C -1.264400 -1.637000 -6.0000003E-04 H 0.1485000 1.973100 -4.0300000E-02 H 0.7720000 -2.295700 -3.5100002E-02 H -1.648600 -2.653900 1.4300000E-02 H -4.168600 -6.8000001E-03 5.4900002E-02 H -3.876400 -1.734600 5.6600001E-02 H 2.646900 -0.6226000 2.005400 %chk=000066816-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000066816 0 1 Cl -2.766294 2.175459 0.065904 S 2.374125 0.011779 -0.072870 O 2.624821 0.016420 1.773968 O 3.093137 -1.307369 -0.676544 O 2.743280 1.486429 -0.630801 N -3.620349 -0.739014 -0.000396 C 0.541072 -0.222842 -0.040756 C -0.273679 0.923632 0.005983 C 0.025914 -1.531761 -0.070400 C -2.250095 -0.576980 -0.013125 C -1.657132 0.724540 0.013938 C -1.366583 -1.700662 -0.061875 H 0.161710 1.927075 0.017201 H 0.702095 -2.390657 -0.116639 H -1.793120 -2.709035 -0.089621 H -4.231118 0.074996 0.031872 H -4.035233 -1.666147 -0.021691 H 3.601350 0.163739 1.941651