%chk=000108398.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108398 0 1 O 0.1708000 -1.004100 -6.2399998E-02 C 0.2072000 0.3776000 0.3271000 C 1.267400 1.056000 -0.5318000 C 2.675300 0.4642000 -0.3502000 C -1.132700 1.048700 0.1657000 C -2.237100 -1.150500 -6.3400000E-02 C -2.265600 0.3539000 -3.1700000E-02 C -0.9344000 -1.695400 0.5154000 C 3.148800 0.5208000 1.102900 C 2.696400 -0.9840000 -0.8450000 C -3.596200 1.012700 -0.2266000 H 0.4774000 0.4358000 1.387400 H 0.9923000 0.9844000 -1.593100 H 1.307200 2.126600 -0.2912000 H 3.364500 1.053300 -0.9681000 H -1.164300 2.133600 0.2219000 H -3.079700 -1.567000 0.4994000 H -2.339400 -1.470700 -1.107400 H -0.9018000 -1.598400 1.607700 H -0.8343000 -2.758600 0.2748000 H 2.587600 -0.1554000 1.755100 H 3.061100 1.536800 1.501500 H 4.203100 0.2293000 1.166300 H 2.355300 -1.706100 -9.7400002E-02 H 3.733700 -1.265800 -1.065700 H 2.134500 -1.113700 -1.775700 H -4.022200 0.7272000 -1.193800 H -3.522000 2.105000 -0.2037000 H -4.290700 0.7083000 0.5630000 %chk=000108398-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108398 0 1 O 0.132058 -1.082661 0.102214 C 0.188048 0.370411 0.370838 C 1.273618 0.991750 -0.535990 C 2.732245 0.471902 -0.359585 C -1.163699 1.035007 0.154922 C -2.343987 -1.167451 0.042235 C -2.328312 0.355294 -0.024077 C -1.060577 -1.698793 0.705698 C 3.163176 0.407216 1.125636 C 2.972369 -0.885352 -1.065007 C -3.651281 1.043417 -0.292761 H 0.489567 0.510251 1.437106 H 0.960257 0.860982 -1.590299 H 1.261824 2.082661 -0.329742 H 3.381007 1.223367 -0.860406 H -1.160090 2.134222 0.136646 H -3.230449 -1.512800 0.614064 H -2.445167 -1.586597 -0.979481 H -1.081874 -1.488718 1.798193 H -0.935013 -2.783698 0.551689 H 2.620953 -0.395951 1.657916 H 2.972657 1.362666 1.651925 H 4.244199 0.187503 1.205835 H 2.324041 -1.663496 -0.630037 H 4.029932 -1.195941 -0.963095 H 2.739491 -0.816481 -2.144405 H -4.094217 0.689204 -1.245182 H -3.539193 2.139859 -0.356195 H -4.389384 0.816728 0.502345