%chk=000108734.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108734 1 1 S -5.682000 1.828000 2.4300000E-02 O 0.7746000 -3.741300 0.3538000 O -6.475100 2.077900 1.427600 O -6.517200 1.020400 -0.8462000 O -5.116800 3.088600 -0.4222000 N -0.4030000 -2.000800 -0.4351000 C -1.520900 -1.232300 -0.9737000 C -2.387400 -0.6088000 0.1184000 C 0.8428000 -1.534100 -0.1518000 C -3.522200 0.2474000 -0.4448000 C -0.4110000 -3.262700 -0.1363000 C 1.578900 -2.614300 0.3396000 C -4.385000 0.8202000 0.6696000 C 1.414900 -0.2698000 -0.2723000 C 2.755000 -0.1469000 0.1230000 C 2.905900 -2.516000 0.7367000 C -1.517900 -4.220400 -0.2587000 C 3.481000 -1.243700 0.6151000 C 3.405200 1.143600 2.0400001E-02 C 3.362200 2.031400 1.094300 C 4.073100 1.495100 -1.151600 C 3.988400 3.273900 0.9959000 C 4.699300 2.737600 -1.250000 C 4.657000 3.627000 -0.1761000 H -2.128500 -1.885500 -1.611500 H -1.122000 -0.4515000 -1.632200 H -2.802900 -1.404200 0.7488000 H -1.757100 5.5000000E-03 0.7732000 H -3.103000 1.061500 -1.048700 H -4.137600 -0.3599000 -1.119500 H -3.792200 1.438700 1.350900 H -4.851500 9.9999998E-03 1.239800 H 0.8528000 0.5777000 -0.6502000 H 3.462300 -3.364000 1.115600 H -1.244500 -5.198300 0.1502000 H -2.399700 -3.867300 0.2837000 H -1.790100 -4.360600 -1.309100 H 4.520900 -1.120300 0.9151000 H 2.845300 1.771600 2.015200 H 4.115500 0.8136000 -1.997900 H -6.957900 1.296800 1.787200 H 3.955600 3.966400 1.831900 H 5.220000 3.012800 -2.162500 H 5.144700 4.594400 -0.2527000 %chk=000108734-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108734 1 1 S -5.706695 1.819407 -0.299610 O 0.829877 -3.885839 0.399470 O -6.416803 2.403715 1.304385 O -6.659689 0.710797 -0.991986 O -5.145331 3.058846 -1.173412 N -0.396731 -2.204622 -0.423264 C -1.550846 -1.438969 -0.964043 C -2.299049 -0.646817 0.135234 C 0.875140 -1.640940 -0.094409 C -3.472471 0.143021 -0.494805 C -0.387319 -3.525300 -0.120131 C 1.640920 -2.707672 0.425710 C -4.244161 0.926907 0.570904 C 1.400908 -0.344270 -0.201176 C 2.741372 -0.146980 0.235601 C 2.956471 -2.560624 0.870752 C -1.453412 -4.542075 -0.291593 C 3.486040 -1.258432 0.761497 C 3.370292 1.198186 0.142810 C 4.305706 1.631563 1.123403 C 3.043058 2.080240 -0.924954 C 4.891977 2.911284 1.039957 C 3.633026 3.357723 -1.009501 C 4.558528 3.778999 -0.026028 H -2.232589 -2.149200 -1.462028 H -1.157759 -0.757868 -1.739394 H -2.681598 -1.346149 0.903720 H -1.601391 0.045361 0.642905 H -3.087205 0.844449 -1.260725 H -4.165643 -0.554148 -1.005248 H -3.681895 1.749602 1.038431 H -4.741025 0.298920 1.326321 H 0.810686 0.496719 -0.574683 H 3.541193 -3.396117 1.261285 H -1.131576 -5.487719 0.169827 H -2.399712 -4.225437 0.180980 H -1.656754 -4.734851 -1.361606 H 4.524272 -1.093796 1.063344 H 4.549780 0.986476 1.975121 H 2.362239 1.752795 -1.719697 H -7.224086 2.966064 1.122937 H 5.601359 3.234689 1.808406 H 3.383622 4.018590 -1.845882 H 5.017170 4.770872 -0.091626