%chk=000109549.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109549 0 1 O -2.327700 2.147100 -0.1640000 C -1.504600 -0.1196000 -0.4437000 C -2.134300 -1.364400 0.1844000 C -3.633500 -1.133900 4.2599998E-02 C -3.825100 0.3383000 0.3851000 C -0.1219000 0.1818000 9.7999997E-02 C -2.525500 0.9411000 -8.5500002E-02 C 0.8688000 -0.9295000 -0.2494000 C 2.230400 -0.6396000 0.3117000 C 3.330700 -0.4911000 -0.4406000 C 4.693400 -0.2123000 0.1209000 C 4.949300 1.282000 0.2403000 H -1.495500 -0.2112000 -1.536700 H -1.873400 -1.451400 1.246600 H -1.822000 -2.284700 -0.3189000 H -4.218500 -1.787700 0.6960000 H -3.944800 -1.323300 -0.9920000 H -3.915400 0.4881000 1.464700 H -4.678200 0.7709000 -0.1417000 H 0.2338000 1.133500 -0.3185000 H -0.1641000 0.3266000 1.186000 H 0.5362000 -1.886000 0.1695000 H 0.9140000 -1.056900 -1.337800 H 2.311600 -0.5676000 1.393700 H 3.253100 -0.5571000 -1.522800 H 5.448200 -0.6717000 -0.5272000 H 4.802200 -0.6792000 1.107200 H 5.954400 1.462200 0.6348000 H 4.231200 1.756400 0.9178000 H 4.875600 1.775400 -0.7348000 %chk=000109549-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109549 0 1 O -2.336229 2.175428 0.045706 C -1.578578 -0.168005 -0.314254 C -2.292292 -1.469283 0.138397 C -3.807250 -1.171942 -0.060467 C -3.954997 0.313618 0.351532 C -0.170623 0.095782 0.261354 C -2.591736 0.947091 0.027947 C 0.895960 -0.900627 -0.266171 C 2.260909 -0.670523 0.349199 C 3.390404 -0.358379 -0.338742 C 4.751702 -0.108766 0.278240 C 5.295396 1.309185 -0.037393 H -1.504105 -0.173125 -1.426374 H -2.078981 -1.651285 1.211029 H -1.962857 -2.360235 -0.422580 H -4.451588 -1.847177 0.527863 H -4.078340 -1.297253 -1.126152 H -4.120234 0.412131 1.443967 H -4.774272 0.861088 -0.145506 H 0.131047 1.130303 0.011113 H -0.214883 0.038323 1.368389 H 0.558050 -1.934858 -0.043360 H 0.963847 -0.817911 -1.369521 H 2.316364 -0.758052 1.447053 H 3.333013 -0.259801 -1.435778 H 5.475500 -0.858561 -0.104293 H 4.695564 -0.252477 1.374549 H 6.301143 1.455445 0.398141 H 4.624345 2.086011 0.370935 H 5.372122 1.470053 -1.129125