%chk=000066299.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000066299 0 1 O -2.507500 0.1881000 -5.0000002E-04 O 3.357600 -0.9805000 3.9999999E-04 O -1.662400 -1.953100 -3.9999999E-04 C -0.1882000 -7.9200000E-02 -9.9999997E-05 C 0.9743000 -0.8501000 6.0000003E-04 C 2.223200 -0.2286000 7.9999998E-04 C -0.1019000 1.313000 -5.0000002E-04 C 2.309300 1.163600 3.9999999E-04 C 1.146800 1.934500 -1.9999999E-04 C -1.490400 -0.7270000 -6.9999998E-04 C -3.842600 -0.3287000 3.0000001E-04 C -4.819100 0.8282000 5.0000002E-04 C 4.600800 -0.2802000 -6.9999998E-04 H 0.9232000 -1.936300 6.9999998E-04 H -0.9795000 1.953300 -1.1000000E-03 H 3.245700 1.710900 3.9999999E-04 H 1.213400 3.018700 -6.0000003E-04 H -3.995000 -0.9436000 -0.8935000 H -3.994000 -0.9430000 0.8946000 H -5.851800 0.4684000 1.2000001E-03 H -4.664700 1.462400 0.8798000 H -4.665600 1.461800 -0.8791000 H 4.727000 0.3172000 0.9087000 H 4.725500 0.3170000 -0.9104000 H 5.395900 -1.033100 -1.4000000E-03 %chk=000066299-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000066299 0 1 O -2.569166 0.232920 0.002033 O 3.354617 -1.012785 -0.000854 O -1.648501 -1.907565 0.001761 C -0.176575 0.045253 0.002472 C 0.990311 -0.750154 0.001367 C 2.262386 -0.132420 0.000042 C -0.082027 1.463726 0.002091 C 2.368842 1.281692 -0.000291 C 1.190258 2.065340 0.000743 C -1.492540 -0.660808 0.004039 C -3.926894 -0.389787 0.000108 C -4.935201 0.754305 -0.001591 C 4.698369 -0.428096 -0.002359 H 0.910107 -1.841048 0.001638 H -0.995073 2.063274 0.002933 H 3.345527 1.774311 -0.001331 H 1.276580 3.157450 0.000485 H -4.012100 -1.033902 -0.893869 H -4.014722 -1.033559 0.894077 H -5.962575 0.346670 -0.003018 H -4.814605 1.387458 0.893902 H -4.811994 1.387130 -0.896962 H 4.872076 0.186535 0.902495 H 4.870159 0.186267 -0.907760 H 5.382744 -1.288508 -0.002952