%chk=000110248.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110248 0 1 S -3.588900 0.1795000 -7.8599997E-02 O -3.919600 -0.4003000 1.410600 O -4.278600 1.450700 -0.2094000 O -3.792900 -0.8873000 -1.041400 O 2.671200 1.912400 1.241100 O 3.419300 -0.8886000 -1.208400 O 2.890600 1.934600 -1.021200 O 3.577000 -0.8118000 1.057800 C -0.8928000 -0.5026000 -2.4200000E-02 C 0.4775000 -0.1491000 -1.0400000E-02 C -1.863300 0.5120000 -5.9200000E-02 C 0.8367000 1.208300 -3.2099999E-02 C 1.448000 -1.163700 2.4599999E-02 C -1.488500 1.855500 -7.9800002E-02 C -1.252300 -1.860000 -3.0000000E-03 C -0.1409000 2.203100 -6.6600002E-02 C 1.072700 -2.507400 4.5800000E-02 C -0.2748000 -2.854800 3.2000002E-02 C 2.208400 1.710100 -2.0400001E-02 C 2.891200 -0.9406000 4.2700000E-02 H -2.215000 2.661900 -0.1035000 H -2.275100 -2.212700 3.7900001E-02 H 0.1326000 3.255600 -8.2699999E-02 H 1.820000 -3.296900 7.5900003E-02 H -0.5655000 -3.901100 5.9700001E-02 H -3.741600 0.2202000 2.156000 H 3.593000 2.248100 1.242700 H 4.388300 -0.7372000 -1.189900 %chk=000110248-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000110248 0 1 S -3.651264 0.302391 0.120274 O -3.679154 -0.611069 1.737734 O -4.410932 1.720071 0.287353 O -4.131569 -0.722388 -1.036828 O 2.621332 2.960164 0.338244 O 3.782990 -1.987661 -0.221675 O 3.010559 1.318224 -1.254688 O 3.384592 -0.145538 1.124946 C -0.849223 -0.456671 -0.061305 C 0.566171 -0.104775 -0.039702 C -1.784011 0.609599 0.128853 C 0.920562 1.297111 0.022961 C 1.521216 -1.191376 -0.077850 C -1.435472 1.935904 0.330200 C -1.251210 -1.817503 -0.271377 C -0.058562 2.275634 0.246095 C 1.088046 -2.505590 -0.313177 C -0.294059 -2.814798 -0.439575 C 2.284279 1.794779 -0.352431 C 2.948289 -1.006434 0.323089 H -2.203004 2.697679 0.496680 H -2.314925 -2.064648 -0.309998 H 0.246399 3.322191 0.320043 H 1.835074 -3.302220 -0.356246 H -0.603349 -3.848160 -0.622376 H -4.632340 -0.848199 1.934648 H 3.517205 3.267543 0.033104 H 4.709060 -1.836358 0.109003