%chk=000107476.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107476 1 1 S 2.561800 0.1684000 -3.8000001E-03 O 1.139900 -0.6337000 1.6300000E-02 O 2.739800 0.8646000 1.254300 O 2.720500 0.8356000 -1.280000 N -2.540600 -1.7400000E-02 -1.7000000E-03 C -1.252600 -0.8271000 3.6899999E-02 C -2.562100 0.8422000 -1.257400 C -3.733500 -0.9624000 -1.3200000E-02 C -2.614200 0.8777000 1.227000 C -6.6900000E-02 0.1173000 1.6899999E-02 C 3.607800 -1.265100 4.6999999E-03 H -1.257400 -1.445900 0.9422000 H -1.240400 -1.498700 -0.8301000 H -2.311900 0.2156000 -2.118500 H -3.574300 1.244100 -1.372800 H -1.869000 1.680800 -1.155700 H -3.697800 -1.573700 0.8935000 H -4.651800 -0.3681000 -3.6200002E-02 H -3.665300 -1.593200 -0.9045000 H -2.428000 0.2694000 2.117000 H -1.893100 1.694300 1.144600 H -3.621200 1.305500 1.272500 H -4.6399999E-02 0.7408000 -0.8798000 H -4.1000001E-02 0.7619000 0.8991000 H 4.646400 -0.9279000 -7.0000002E-03 H 3.412500 -1.840400 0.9117000 H 3.398800 -1.861000 -0.8858000 %chk=000107476-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000107476 1 1 S 1.797099 -0.204402 -0.650919 O 1.143594 -0.918891 0.995640 O 1.553742 1.398891 -0.557349 O 1.093532 -1.028559 -1.855560 N -2.324097 0.023879 -0.010477 C -1.323251 -0.937214 0.680275 C -1.662522 0.795528 -1.158460 C -3.456240 -0.828970 -0.590304 C -2.911151 1.003503 1.003724 C -0.111545 -0.267056 1.385014 C 3.605434 -0.703174 -0.395729 H -1.923562 -1.524262 1.395812 H -0.949241 -1.616268 -0.104376 H -1.235726 0.076410 -1.874933 H -2.431333 1.416339 -1.643395 H -0.851435 1.433301 -0.775523 H -3.959915 -1.370179 0.225293 H -4.175072 -0.170142 -1.100848 H -3.031748 -1.544623 -1.310468 H -3.368331 0.437773 1.830170 H -2.115809 1.657384 1.389238 H -3.675508 1.617592 0.503864 H -0.041234 0.824889 1.198540 H -0.150660 -0.417832 2.477127 H 4.130539 -0.411639 -1.316284 H 3.944134 -0.148430 0.488877 H 3.590308 -1.790249 -0.238749